N-cyclopentyl-N'-methyl-N'-[(1R)-1-(naphthalen-1-yl)ethyl]butanediamide

• ChemBase ID: 728927
• Molecular Formular: C22H28N2O2
• Molecular Mass: 352.46992
• Monoisotopic Mass: 352.21507815
• SMILES: c1([C@H](N(C(=O)CCC(=O)NC2CCCC2)C)C)c2c(ccc1)cccc2
• Canonical SMILES: O=C(NC1CCCC1)CCC(=O)N([C@@H](c1cccc2c1cccc2)C)C
• InChI: InChI=1S/C22H28N2O2/c1-16(19-13-7-9-17-8-3-6-12-20(17)19)24(2)22(26)15-14-21(25)23-18-10-4-5-11-18/h3,6-9,12-13,16,18H,4-5,10-11,14-15H2,1-2H3,(H,23,25)/t16-/m1/s1
• InChIKey: IWEKSKLYFBKDPJ-MRXNPFEDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-N'-methyl-N'-[(1R)-1-(naphthalen-1-yl)ethyl]butanediamide
• IUPAC Traditional name: N-cyclopentyl-N'-methyl-N'-[(1R)-1-(naphthalen-1-yl)ethyl]succinamide
• Synonyms: N'-cyclopentyl-N-methyl-N-[(1R)-1-(1-naphthyl)ethyl]succinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.838688
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.1438866
• LogD (pH = 7.4): 3.1438868
• Log P: 3.1438868
• Molar Refractivity: 103.7663 cm^3
• Polarizability: 41.644638 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.63
• LOG S: -4.87
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 6