Mrv1652311251922492D          

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M  END
> <DATABASE_ID>
BMDB0002088

> <DATABASE_NAME>
bmdb

> <SMILES>
CCCCCCCC\C=C/CCCCCCCC(=O)NCCO

> <INCHI_IDENTIFIER>
InChI=1S/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h9-10,22H,2-8,11-19H2,1H3,(H,21,23)/b10-9-

> <INCHI_KEY>
BOWVQLFMWHZBEF-KTKRTIGZSA-N

> <FORMULA>
C20H39NO2

> <MOLECULAR_WEIGHT>
325.5292

> <EXACT_MASS>
325.298079497

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
62

> <JCHEM_AVERAGE_POLARIZABILITY>
42.772357373818814

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

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

> <ALOGPS_LOGP>
6.74

> <JCHEM_LOGP>
5.510429891

> <ALOGPS_LOGS>
-6.13

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
16.47384261938588

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.469626555316175

> <JCHEM_PKA_STRONGEST_BASIC>
-1.3086129187290512

> <JCHEM_POLAR_SURFACE_AREA>
49.33

> <JCHEM_REFRACTIVITY>
100.41339999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
17

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.44e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
oleoylethanolamide

> <JCHEM_VEBER_RULE>
0

> <BMDB_ID>
BMDB0002088

> <GENERIC_NAME>
N-Oleoylethanolamine

> <SYNONYMS>
N-(2-Hydroxyethyl)oleamide; N-Oleoyl-2-aminoethanol; Oleamide MEA; Oleic acid ethanolamide; Oleic acid monoethanolamide; Oleoylethanolamide

$$$$