Mrv0541 03191306562D          

 24 23  0  0  0  0            999 V2000
   -6.3250    5.8536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6105    6.2661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8961    5.8536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1816    6.2661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4671    5.8536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7526    6.2661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0382    5.8536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3237    6.2661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6092    5.8536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1052    6.2661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8197    5.8536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5342    6.2661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2487    5.8536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0395    6.2661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7539    5.8536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2487    5.0286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9632    4.6161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9632    3.7911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6777    3.3786    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6777    2.5536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3922    2.1412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2488    3.3786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3923    1.3162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1067    2.5537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  1 14  1  0  0  0  0
 14 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 18 22  2  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
M  END
> <DATABASE_ID>
FDB008338

> <DATABASE_NAME>
foodb

> <SMILES>
CCCCCCCCCCCCC\C=C/C=C/C(=O)NCC(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C22H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21(2)3/h16-19,21H,4-15,20H2,1-3H3,(H,23,24)/b17-16-,19-18+

> <INCHI_KEY>
QQCGKIZHTJLRNN-JUJVUSMPSA-N

> <FORMULA>
C22H41NO

> <MOLECULAR_WEIGHT>
335.567

> <EXACT_MASS>
335.318814939

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
44.55761310565311

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2E,4Z)-N-(2-methylpropyl)octadeca-2,4-dienamide

> <ALOGPS_LOGP>
8.11

> <JCHEM_LOGP>
7.442658568666668

> <ALOGPS_LOGS>
-6.83

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
16.34987170890389

> <JCHEM_PKA_STRONGEST_BASIC>
2.245618544755534

> <JCHEM_POLAR_SURFACE_AREA>
29.1

> <JCHEM_REFRACTIVITY>
108.95859999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
16

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.97e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2E,4Z)-N-(2-methylpropyl)octadeca-2,4-dienamide

> <JCHEM_VEBER_RULE>
0

> <FOODB_ID>
FDB008338

> <GENERIC_NAME>
Pipericine

$$$$