N-(phenylcarbonyl)glycyl-N-cyclopentyl-N~2~-(4-methylphenyl)isovalinamide

HCID 5200724

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Basic information

CAS: 5839-47-4
Standard SMILES: CCC(C)(C(=O)NC1CCCC1)N(C(=O)CNC(=O)c1ccccc1)c1ccc(C)cc1
InChIKey: BJHOWFXNJBNWLJ-UHFFFAOYSA-N
Molecular formula: C26H33N3O3
Average molar mass: 435.6 g/mol
Monoisotopic mass: 435.25219192

Names & identifiers

Preferred name: N-(phenylcarbonyl)glycyl-N-cyclopentyl-N~2~-(4-methylphenyl)isovalinamide
IUPAC: N-[2-(N-[1-(cyclopentylamino)-2-methyl-1-oxobutan-2-yl]-4-methylanilino)-2-oxoethyl]benzamide

Names & synonyms

N-(phenylcarbonyl)glycyl-N-cyclopentyl-N~2~-(4-methylphenyl)isovalinamideSTK1423815839-47-4UNM000000732501N-Benzoylglycyl-N-cyclopentyl-N~2~-(4-methylphenyl)isovalinamideDTXSID10409484AKOS001776795AKOS022028324NCGC00286279-01AB01286962-01

Database identifiers

CAS: 5839-47-4
PubChem CID: 5200724
DTXSID: DTXSID10409484

Properties

Computed structural properties

XLogP: 4.4
Topological polar surface area: 78.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 8
Heavy atoms: 32
Formal charge: 0
Complexity: 647

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