6436063
  -OEChem-11232512572D

 72 71  0     0  0  0  0  0  0999 V2000
   13.2583   -3.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244   -2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.5885   -2.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8564   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7224   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4545   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5885   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3957   -3.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1928   -3.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3267   -1.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5297   -1.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0588   -1.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2617   -1.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    0.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    0.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087    0.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    0.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6637   -3.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4607   -3.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426    1.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441    2.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -0.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860   -1.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1278   -3.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9248   -3.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5947   -1.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7976   -1.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    2.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    1.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747   -1.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762   -0.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7908   -1.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9938   -1.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4766    3.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0781    3.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5919   -3.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3889   -3.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2549   -1.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4579   -1.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244   -1.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3239   -3.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1210   -3.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    4.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    4.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    3.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.1445   -3.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.9914   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.7645   -2.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2085   -1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.5885   -0.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9685   -1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  2  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  2 61  1  0  0  0  0
  3 23  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  9  1  0  0  0  0
  5 29  1  0  0  0  0
  5 30  1  0  0  0  0
  6 12  1  0  0  0  0
  6 31  1  0  0  0  0
  6 32  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 33  1  0  0  0  0
  7 34  1  0  0  0  0
  8 11  1  0  0  0  0
  8 35  1  0  0  0  0
  8 36  1  0  0  0  0
  9 13  1  0  0  0  0
  9 37  1  0  0  0  0
  9 38  1  0  0  0  0
 10 14  1  0  0  0  0
 10 39  1  0  0  0  0
 10 40  1  0  0  0  0
 11 15  1  0  0  0  0
 11 41  1  0  0  0  0
 11 42  1  0  0  0  0
 12 16  1  0  0  0  0
 12 43  1  0  0  0  0
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 13 18  1  0  0  0  0
 13 45  1  0  0  0  0
 13 46  1  0  0  0  0
 14 17  1  0  0  0  0
 14 47  1  0  0  0  0
 14 48  1  0  0  0  0
 15 19  1  0  0  0  0
 15 49  1  0  0  0  0
 15 50  1  0  0  0  0
 16 20  1  0  0  0  0
 16 51  1  0  0  0  0
 16 52  1  0  0  0  0
 17 24  1  0  0  0  0
 17 53  1  0  0  0  0
 17 54  1  0  0  0  0
 18 19  2  0  0  0  0
 18 55  1  0  0  0  0
 19 56  1  0  0  0  0
 21 22  1  0  0  0  0
 21 57  1  0  0  0  0
 21 58  1  0  0  0  0
 22 23  1  0  0  0  0
 22 59  1  0  0  0  0
 22 60  1  0  0  0  0
 23 62  1  0  0  0  0
 23 63  1  0  0  0  0
 24 64  1  0  0  0  0
 24 65  1  0  0  0  0
 24 66  1  0  0  0  0
 25 67  1  0  0  0  0
 25 68  1  0  0  0  0
 25 69  1  0  0  0  0
 26 70  1  0  0  0  0
 26 71  1  0  0  0  0
 26 72  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6436063

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
326

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
19

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7IAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQAAAACADBgAQCAAPAAACIACFSEAAAAAAgAAAICIEIAAgAABIAwQAEAAAAlgCIAAMYiICAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(Z)-N-[3-(dimethylamino)propyl]octadec-9-enamide

> <PUBCHEM_IUPAC_CAS_NAME>
(Z)-N-[3-(dimethylamino)propyl]-9-octadecenamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
(<I>Z</I>)-<I>N</I>-[3-(dimethylamino)propyl]octadec-9-enamide

> <PUBCHEM_IUPAC_NAME>
(Z)-N-[3-(dimethylamino)propyl]octadec-9-enamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(Z)-N-[3-(dimethylamino)propyl]octadec-9-enamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(Z)-N-[3-(dimethylamino)propyl]octadec-9-enamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H46N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)24-21-19-22-25(2)3/h11-12H,4-10,13-22H2,1-3H3,(H,24,26)/b12-11-

> <PUBCHEM_IUPAC_INCHIKEY>
UCWYGNTYSWIDSW-QXMHVHEDSA-N

> <PUBCHEM_XLOGP3_AA>
7.4

> <PUBCHEM_EXACT_MASS>
366.361014095

> <PUBCHEM_MOLECULAR_FORMULA>
C23H46N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
366.6

> <PUBCHEM_SMILES>
CCCCCCCC/C=C\CCCCCCCC(=O)NCCCN(C)C

> <PUBCHEM_CONNECTIVITY_SMILES>
CCCCCCCCC=CCCCCCCCC(=O)NCCCN(C)C

> <PUBCHEM_CACTVS_TPSA>
32.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
366.361014095

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$
