Basic information
- Standard SMILES
CCCCCCCCc1ccc(CCC(CO)NC(=O)[C@](OC)(c2ccccc2)C(F)(F)F)cc1- InChIKey
KMFSVGBYJFQWSB-ZCJYOONXSA-N- Molecular formula
- C28H38F3NO3
- Average molar mass
- 493.6 g/mol
- Monoisotopic mass
- 493.28037856
Names & identifiers
- Preferred name
- 2-[(R)-alpha-methoxy-alpha-trifluoromethylphenylacetylamino]-4-(4-octylphenyl)butanol
- IUPAC
- (2R)-3,3,3-trifluoro-N-[1-hydroxy-4-(4-octylphenyl)butan-2-yl]-2-methoxy-2-phenylpropanamide
Names & synonyms
2-[(R)-alpha-methoxy-alpha-trifluoromethylphenylacetylamino]-4-(4-octylphenyl)butanolSCHEMBL7615985
Database identifiers
- PubChem CID
- 70146436
Properties
Computed structural properties
- XLogP
- 7.8
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 15
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 586
Related reactions
1 records
Compound notes
Loading…