Basic information
- Standard SMILES
CC(C)(C)CC[C@]1(C)N[C@@H](c2ccccc2)COC1=O- InChIKey
MTQAPYDZWHPLPZ-PBHICJAKSA-N- Molecular formula
- C17H25NO2
- Average molar mass
- 275.4 g/mol
- Monoisotopic mass
- 275.18852904
Names & identifiers
- Preferred name
- (3S,5S)-3-(3,3-Dimethylbutyl)-3-methyl-5-phenylmorpholin-2-one
- IUPAC
- (3S,5S)-3-(3,3-dimethylbutyl)-3-methyl-5-phenylmorpholin-2-one
Names & synonyms
SCHEMBL4330497MTQAPYDZWHPLPZ-PBHICJAKSA-N(3S,5S)-3-(3,3-Dimethylbutyl)-3-methyl-5-phenylmorpholin-2-one
Database identifiers
- PubChem CID
- 57935239
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 341
Related reactions
1 records
Compound notes
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