Mrv1572004191604302D          

 26 25  0  0  0  0            999 V2000
    0.2727    8.2588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4286    7.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2082    7.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3641    6.3685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1436    6.0984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2995    5.2883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0791    5.0182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2350    4.2081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0145    3.9381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1704    3.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5736    3.3980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3532    3.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9768    3.6680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7564    3.3980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3800    3.9381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1596    3.6680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1864    4.4782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7187    3.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9660    4.2081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4982    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7832    4.2081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5628    3.9381    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5896    4.7482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6541    2.0477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6273    5.0182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10 11  1  4  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  1  0  0  0  0
 22 17  1  0  0  0  0
 23 18  1  0  0  0  0
 23 19  1  0  0  0  0
 23 22  1  0  0  0  0
 24 20  1  0  0  0  0
 25 21  1  0  0  0  0
 26 22  2  0  0  0  0
M  END
> <DATABASE_ID>
CHEM015539

> <DATABASE_NAME>
chemdb

> <SMILES>
CCCCCCCCC=CCCCCCCCC(=O)N(CCO)CCO

> <INCHI_IDENTIFIER>
InChI=1S/C22H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)23(18-20-24)19-21-25/h9-10,24-25H,2-8,11-21H2,1H3

> <INCHI_KEY>
LPMBTLLQQJBUOO-UHFFFAOYSA-N

> <FORMULA>
C22H43NO3

> <MOLECULAR_WEIGHT>
369.59

> <EXACT_MASS>
369.324294249

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
69

> <JCHEM_AVERAGE_POLARIZABILITY>
48.00981320596088

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
N,N-bis(2-hydroxyethyl)octadec-9-enamide

> <ALOGPS_LOGP>
6.19

> <JCHEM_LOGP>
5.044003944666668

> <ALOGPS_LOGS>
-5.36

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
15.875367781557003

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.27309555855313

> <JCHEM_PKA_STRONGEST_BASIC>
-0.9488487808194045

> <JCHEM_POLAR_SURFACE_AREA>
60.77

> <JCHEM_REFRACTIVITY>
111.60239999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
19

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.60e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
N,N-bis(2-hydroxyethyl)octadec-9-enamide

> <JCHEM_VEBER_RULE>
0

> <NAME>
9-Octadecenamide, N,N-bis(2-hydroxyethyl)-, (9Z)-

> <CAS>
93-83-4

> <SYNONYMS>
(9Z)-N,N-Bis(2-hydroxyethyl)octadec-9-enamide; N,N-bis(2-hydroxyethyl)oleamide

$$$$