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
- Formal charge
- 0
- Complexity
- 752
Related reactions
6 records
Linked notes
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