N-tert-butyl-3-cyano-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide

HCID 19084916

Notes Reactions

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Basic information

Standard SMILES: CC(C)(C)NC(=O)C1CCC2C3CC=C4C=C(C#N)CCC4(C)C3CCC12C
InChIKey: SWSAVZHOUMPGCF-UHFFFAOYSA-N
Molecular formula: C25H36N2O
Average molar mass: 380.6 g/mol

Names & identifiers

Preferred name: N-tert-butyl-3-cyano-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide
IUPAC: N-tert-butyl-3-cyano-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-17-carboxamide

Names & synonyms

SWSAVZHOUMPGCF-UHFFFAOYSA-NN-tert-butyl-3-cyano-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-17-carboxamideNS00008381

Database identifiers

PubChem CID: 19084916

Properties

Computed structural properties

XLogP: 5.3
Topological polar surface area: 52.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 28
Formal charge: 0
Complexity: 791

Related reactions

2 records

New reaction record

HRID 836372As productTest data from https://doi.org/10.1039/C8SC04228D

HRID 1223620As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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