N-[(2S)-1-(cyanoamino)-4-methyl-1-oxopentan-2-yl]benzamide

HCID 180885

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

Related reactions

3 records

Compound notes

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