CAS 1354009-93-0

(2S)-2-Amino-N-[(4-cyanophenyl)methyl]-3-methyl-N-(1-methylethyl)butanamide

Description:

(2S)-2-Amino-N-[(4-cyanophenyl)methyl]-3-methyl-N-(1-methylethyl)butanamide is a chemical compound characterized by its specific stereochemistry and functional groups. It features an amino group, which is indicative of its classification as an amine, and a butanamide structure, suggesting it is an amide derivative. The presence of a cyanophenyl group introduces a cyano functional group, which can influence the compound's reactivity and polarity. The methyl and isopropyl substituents contribute to its hydrophobic characteristics, potentially affecting its solubility in various solvents. This compound may exhibit biological activity due to its structural features, making it of interest in pharmaceutical research. Its stereochemistry, particularly the (2S) configuration, is crucial for determining its interaction with biological targets. Overall, this compound's unique combination of functional groups and stereochemistry suggests potential applications in medicinal chemistry and drug development.

Formula: C₁₆H₂₃N₃O

InChI: InChI=1S/C16H23N3O/c1-11(2)15(18)16(20)19(12(3)4)10-14-7-5-13(9-17)6-8-14/h5-8,11-12,15H,10,18H2,1-4H3/t15-/m0/s1

InChI key: InChIKey=SMGYOWSBACFHRQ-HNNXBMFYSA-N

SMILES: C(N(C([C@H](C(C)C)N)=O)C(C)C)C1=CC=C(C#N)C=C1

Synonyms:

• (2S)-2-Amino-N-[(4-cyanophenyl)methyl]-3-methyl-N-(1-methylethyl)butanamide
• Butanamide, 2-amino-N-[(4-cyanophenyl)methyl]-3-methyl-N-(1-methylethyl)-, (2S)-