Mrv1652306031609112D          

 30 29  0  0  0  0            999 V2000
    8.5849   -6.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1084    0.9058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1730   -1.7946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9612   -5.8453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3289    1.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3934   -1.5246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1171   -5.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7052    0.6358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4935   -4.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6494   -3.6850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0257   -3.1449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1817   -2.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5580   -1.7946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7139   -0.9845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0903   -0.4444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3107   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6871   -0.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9075   -0.4444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2839    0.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5043   -0.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8807    0.3657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1012    0.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9257    0.9058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4579   -0.4444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4775    0.6358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3020    0.3657    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6334    1.4459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4935   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2462    0.3657    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  5  1  0  0  0  0
  9  6  1  0  0  0  0
 10  7  1  0  0  0  0
 11 10  1  0  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  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24  8  1  0  0  0  0
 25  9  1  0  0  0  0
 26 23  1  0  0  0  0
 27 24  1  0  0  0  0
 27 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 26  2  0  0  0  0
 29 15  1  0  0  0  0
 30 16  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM045378

> <DATABASE_NAME>
chemdb

> <SMILES>
[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)N(CCCC)CCCC

> <INCHI_IDENTIFIER>
InChI=1S/C26H51NO/c1-4-7-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(28)27(24-8-5-2)25-9-6-3/h15-16H,4-14,17-25H2,1-3H3/b16-15-

> <INCHI_KEY>
YMGHPIVBMBXPCR-NXVVXOECSA-N

> <FORMULA>
C26H51NO

> <MOLECULAR_WEIGHT>
393.7

> <EXACT_MASS>
393.397065266

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
79

> <JCHEM_AVERAGE_POLARIZABILITY>
53.50247107242761

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(9Z)-N,N-dibutyloctadec-9-enamide

> <ALOGPS_LOGP>
9.10

> <JCHEM_LOGP>
9.072005998000002

> <ALOGPS_LOGS>
-7.33

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-0.45891392028565503

> <JCHEM_POLAR_SURFACE_AREA>
20.310000000000002

> <JCHEM_REFRACTIVITY>
126.76499999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
21

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.82e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(9Z)-N,N-dibutyloctadec-9-enamide

> <JCHEM_VEBER_RULE>
0

> <NAME>
N,N-dibutyloleamide

> <CAS>
5831-80-1

$$$$