N-Phenethyl-4a-(m-methoxyphenyl)-1,3-diketo-cis-decahydroisoquinoline

HCID 13282015
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1cccc([C@@]23CCCC[C@@H]2C(=O)N(CCc2ccccc2)C(=O)C3)c1
InChIKey
LAJIXWVWPUHKMC-QPPBQGQZSA-N
Molecular formula
C24H27NO3
Average molar mass
377.5 g/mol

Names & identifiers

Preferred name
N-Phenethyl-4a-(m-methoxyphenyl)-1,3-diketo-cis-decahydroisoquinoline
IUPAC
(4aR,8aS)-4a-(3-methoxyphenyl)-2-(2-phenylethyl)-4,5,6,7,8,8a-hexahydroisoquinoline-1,3-dione

Names & synonyms

LAJIXWVWPUHKMC-QPPBQGQZSA-NN-Phenethyl-4a-(m-methoxyphenyl)-1,3-diketo-cis-decahydroisoquinoline

Database identifiers

PubChem CID
13282015

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
46.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
28

Related reactions

1 records
New reaction record

Compound notes

Loading…