Basic information
- CAS
820993-63-3- Standard SMILES
COC(=O)[C@H]1CCCC[C@H]1NC(=O)c1ccccc1- InChIKey
JZGZNFTYKTVTIG-QWHCGFSZSA-N- Molecular formula
- C15H19NO3
- Average molar mass
- 261.32 g/mol
- Monoisotopic mass
- 261.13649347
Names & identifiers
- Preferred name
- Methyl (1S,2R)-2-benzamidocyclohexane-1-carboxylate
- IUPAC
- cis-methyl (1S,2R)-2-benzamidocyclohexane-1-carboxylate
Names & synonyms
DTXSID80839330820993-63-3Methyl (1S,2R)-2-benzamidocyclohexane-1-carboxylate
Database identifiers
- CAS
820993-63-3- PubChem CID
- 71420122
- DTXSID
DTXSID80839330
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 323
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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