4-(3-Hydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-pentanoic Acid Octadecylamide

HCID 68636645
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Basic information

Standard SMILES
CCCCCCCCCCCCCCCCCCNC(=O)CCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C
InChIKey
KFZGEKQZHZRNMH-UHFFFAOYSA-N
Molecular formula
C42H77NO2
Average molar mass
628.1 g/mol

Names & identifiers

Preferred name
4-(3-Hydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-pentanoic Acid Octadecylamide
IUPAC
4-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-N-octadecylpentanamide

Names & synonyms

SCHEMBL3422849KFZGEKQZHZRNMH-UHFFFAOYSA-N4-(3-Hydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-pentanoic Acid Octadecylamide

Database identifiers

PubChem CID
68636645

Properties

Computed structural properties

XLogP
14.8
Topological polar surface area
49.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
21
Heavy atoms
45

Related reactions

11 records
New reaction record

Linked notes

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