Basic information
- CAS
100551-53-9- Standard SMILES
CC(C)C[C@H](NC(=O)c1ccccc1)C(=O)NC#N- InChIKey
CQGPHMXCTUVFJQ-LBPRGKRZSA-N- Molecular formula
- C14H17N3O2
- Average molar mass
- 259.3 g/mol
- Monoisotopic mass
- 259.13207678
Names & identifiers
- Preferred name
- N-[(2S)-1-(cyanoamino)-4-methyl-1-oxopentan-2-yl]benzamide
- IUPAC
- N-[(2S)-1-(cyanoamino)-4-methyl-1-oxopentan-2-yl]benzamide
Names & synonyms
100551-53-9N-Benzoyl-L-leucylcyanamideN-[(2S)-1-(cyanoamino)-4-methyl-1-oxopentan-2-yl]benzamideCHEMBL58207SCHEMBL10335256DTXSID30905579CQGPHMXCTUVFJQ-LBPRGKRZSA-NN-9(2S)-1-(Cyanoamino)-4-methyl-1-oxopentan-2-yl)benzamideBenzamide, N-[1-[(cyanoamino)carbonyl]-3-methylbutyl]-, (S)- (9CI)N-[1-(Cyanoimino)-1-hydroxy-4-methylpentan-2-yl]benzenecarboximidic acidN-[(2S)-1-(Cyanoimino)-1-hydroxy-4-methylpentan-2-yl]benzenecarboximidic acid
Database identifiers
- CAS
100551-53-9- PubChem CID
- 180885
- DTXSID
DTXSID30905579- ChEMBL
CHEMBL58207
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 82 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 364
Related reactions
3 records
Compound notes
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