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Basic information
- CAS
143589-99-5- Standard SMILES
COc1ccc([C@H](C)NC(=O)OCc2ccccc2)cc1- InChIKey
PFINHZJFBBKBCM-ZDUSSCGKSA-N- Molecular formula
- C17H19NO3
- Average molar mass
- 285.34 g/mol
- Monoisotopic mass
- 285.13649347
Names & identifiers
- Preferred name
- Benzyl [(1S)-1-(4-methoxyphenyl)ethyl]carbamate
- IUPAC
- benzyl N-[(1S)-1-(4-methoxyphenyl)ethyl]carbamate
Names & synonyms
SCHEMBL7414382PFINHZJFBBKBCM-ZDUSSCGKSA-NDTXSID801162176143589-99-5Benzyl [(1S)-1-(4-methoxyphenyl)ethyl]carbamate(1S) -N-benzyloxycarbonyl-1-(4-methoxy-phenyl)ethylamineCarbamic acid, [(1S)-1-(4-methoxyphenyl)ethyl]-, phenylmethyl ester
Database identifiers
- CAS
143589-99-5- PubChem CID
- 57071074
- DTXSID
DTXSID801162176
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 307
Related reactions
2 records
Compound notes
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