Basic information
- Standard SMILES
CCCC1CCC(CC(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)CNCc2cccc(CC)c2)CC1=O- InChIKey
RHOHWDBPUZEAFC-JSZYHFPGSA-N- Molecular formula
- C30H40F2N2O3
- Average molar mass
- 514.6 g/mol
Names & identifiers
- Preferred name
- N-{(1S,2R)-1-(3,5-difluorobenzyl)-3-[(3-ethylbenzyl)amino]-2-hydroxypropyl}-2-(3-oxo-4-propylcyclohexyl)acetamide
- IUPAC
- N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]-2-(3-oxo-4-propylcyclohexyl)acetamide
Names & synonyms
SCHEMBL3347714RHOHWDBPUZEAFC-JSZYHFPGSA-NN-{(1S,2R)-1-(3,5-difluorobenzyl)-3-[(3-ethylbenzyl)amino]-2-hydroxypropyl}-2-(3-oxo-4-propylcyclohexyl)acetamide
Database identifiers
- PubChem CID
- 57512052
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 13
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 698
Related reactions
2 records
Compound notes
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