(+/-)-3,4-Bis-cyclopropylmethoxy-N-[(1RS,2RS)-2-(3,4-dimethoxyphenyl)-5-oxo-cyclohexyl]-benzamide

HCID 68985626

Basic information

Standard SMILES
COc1ccc(C2CCC(=O)CC2NC(=O)c2ccc(OCC3CC3)c(OCC3CC3)c2)cc1OC
InChIKey
VQFYZAJRCROGIE-UHFFFAOYSA-N
Molecular formula
C29H35NO6
Average molar mass
493.6 g/mol
Monoisotopic mass
493.24643784

Names & identifiers

Preferred name
(+/-)-3,4-Bis-cyclopropylmethoxy-N-[(1RS,2RS)-2-(3,4-dimethoxyphenyl)-5-oxo-cyclohexyl]-benzamide
IUPAC
3,4-bis(cyclopropylmethoxy)-N-[2-(3,4-dimethoxyphenyl)-5-oxocyclohexyl]benzamide

Names & synonyms

SCHEMBL4282789VQFYZAJRCROGIE-UHFFFAOYSA-N(+/-)-3,4-Bis-cyclopropylmethoxy-N-[(1RS,2RS)-2-(3,4-dimethoxyphenyl)-5-oxo-cyclohexyl]-benzamide(+/-)-3,4-bis-cyclopropylmethoxy-N-[(1RS,2RS)-2-(3,4-dimethoxyphenyl)-5-oxo-cyclohexyl]benzamide

Database identifiers

PubChem CID
68985626

Properties

Computed structural properties

XLogP
4.2
Topological polar surface area
83.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
11
Heavy atoms
36

Related reactions

6 records

Linked notes

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