(2S)-3-methyl-N-[(4-methylphenyl)methyl]-2-[(2-phenylacetyl)amino]butanamide

HCID 8083271

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Basic information

CAS: 956732-13-1
Standard SMILES: Cc1ccc(CNC(=O)[C@@H](NC(=O)Cc2ccccc2)C(C)C)cc1
InChIKey: RXNJFVIHWXAWSN-FQEVSTJZSA-N
Molecular formula: C21H26N2O2
Average molar mass: 338.4 g/mol
Monoisotopic mass: 338.19942808

Names & identifiers

Preferred name: (2S)-3-methyl-N-[(4-methylphenyl)methyl]-2-[(2-phenylacetyl)amino]butanamide
IUPAC: (2S)-3-methyl-N-[(4-methylphenyl)methyl]-2-[(2-phenylacetyl)amino]butanamide

Names & synonyms

(2S)-3-methyl-N-[(4-methylphenyl)methyl]-2-[(2-phenylacetyl)amino]butanamideMLS001173835CHEMBL1864125DTXSID601320942HMS2914P19AKOS034829248956732-13-1SMR000592316Z94728059N-[(4-Methylphenyl)methyl]-N~2~-(phenylacetyl)-L-valinamide

Database identifiers

CAS: 956732-13-1
PubChem CID: 8083271
DTXSID: DTXSID601320942
ChEMBL: CHEMBL1864125

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 58.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 7
Heavy atoms: 25
Formal charge: 0
Complexity: 422

Experimental & physicochemical properties

Solubility7.4 [ug/mL] (The mean of the results at pH 7.4)

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