4-(1,1-Dimethylethyl)-N-[(1S)-2-methyl-1-[[(3-methylbutyl)amino]carbonyl]propyl]benzamide
Basic information
- CAS
956261-57-7- Standard SMILES
CC(C)CCNC(=O)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(C)C- InChIKey
CJLMHTXVIYRVIT-SFHVURJKSA-N- Molecular formula
- C21H34N2O2
- Average molar mass
- 346.5 g/mol
- Monoisotopic mass
- 346.26202833
Names & identifiers
- Preferred name
- 4-(1,1-Dimethylethyl)-N-[(1S)-2-methyl-1-[[(3-methylbutyl)amino]carbonyl]propyl]benzamide
- IUPAC
- 4-tert-butyl-N-[(2S)-3-methyl-1-(3-methylbutylamino)-1-oxobutan-2-yl]benzamide
Names & synonyms
DTXSID001122485AKOS0081447544-(1,1-Dimethylethyl)-N-[(1S)-2-methyl-1-[[(3-methylbutyl)amino]carbonyl]propyl]benzamide956261-57-7Z569507164-tert-Butyl-N-{(2S)-3-methyl-1-[(3-methylbutyl)amino]-1-oxobutan-2-yl}benzamide
Database identifiers
- CAS
956261-57-7- PubChem CID
- 2408138
- DTXSID
DTXSID001122485
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 430
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Compound notes
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