Benzyl [(2S)-3-methyl-1-(octylamino)-1-oxobutan-2-yl]carbamate
Basic information
- CAS
105328-94-7- Standard SMILES
CCCCCCCCNC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C- InChIKey
FUTDGMNVVXUHNJ-IBGZPJMESA-N- Molecular formula
- C21H34N2O3
- Average molar mass
- 362.5 g/mol
- Monoisotopic mass
- 362.25694295
Names & identifiers
- Preferred name
- Benzyl [(2S)-3-methyl-1-(octylamino)-1-oxobutan-2-yl]carbamate
- IUPAC
- benzyl N-[(2S)-3-methyl-1-(octylamino)-1-oxobutan-2-yl]carbamate
Names & synonyms
DTXSID801130365Benzyl [(2S)-3-methyl-1-(octylamino)-1-oxobutan-2-yl]carbamateCarbamic acid, [2-methyl-1-[(octylamino)carbonyl]propyl]-, phenylmethyl ester, (S)-105328-94-7
Database identifiers
- CAS
105328-94-7- PubChem CID
- 165342016
- DTXSID
DTXSID801130365
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 13
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 393
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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