Carbamic acid, [1-[(4-methoxyphenyl)methyl]-2-[methyl(phenylmethyl)amino]-2-oxoethyl]-, 1,1-dimethylethyl ester, (S)-
Basic information
- CAS
142995-38-8- Standard SMILES
COc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc2ccccc2)cc1- InChIKey
NORZJQUGQBIBAL-FQEVSTJZSA-N- Molecular formula
- C23H30N2O4
- Average molar mass
- 398.5 g/mol
- Monoisotopic mass
- 398.22055744
Names & identifiers
- Preferred name
- Carbamic acid, [1-[(4-methoxyphenyl)methyl]-2-[methyl(phenylmethyl)amino]-2-oxoethyl]-, 1,1-dimethylethyl ester, (S)-
- IUPAC
- tert-butyl N-[(2S)-1-[benzyl(methyl)amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]carbamate
Names & synonyms
DTXSID401105877142995-38-8Carbamic acid, [1-[(4-methoxyphenyl)methyl]-2-[methyl(phenylmethyl)amino]-2-oxoethyl]-, 1,1-dimethylethyl ester, (S)-
Database identifiers
- CAS
142995-38-8- PubChem CID
- 165367154
- DTXSID
DTXSID401105877
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 517
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Compound notes
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