N-{[1-(3,5-dimethylphenyl)cyclopentyl]methyl}-3-(6-methyl-2-oxo-1,2-dihydropyridin-1-yl)propanamide

• ChemBase ID: 733814
• Molecular Formular: C23H30N2O2
• Molecular Mass: 366.4965
• Monoisotopic Mass: 366.23072821
• SMILES: n1(c(=O)cccc1C)CCC(=O)NCC1(c2cc(cc(c2)C)C)CCCC1
• Canonical SMILES: O=C(CCn1c(C)cccc1=O)NCC1(CCCC1)c1cc(C)cc(c1)C
• InChI: InChI=1S/C23H30N2O2/c1-17-13-18(2)15-20(14-17)23(10-4-5-11-23)16-24-21(26)9-12-25-19(3)7-6-8-22(25)27/h6-8,13-15H,4-5,9-12,16H2,1-3H3,(H,24,26)
• InChIKey: DBFHKDDUSFBBNW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[1-(3,5-dimethylphenyl)cyclopentyl]methyl}-3-(6-methyl-2-oxo-1,2-dihydropyridin-1-yl)propanamide
• IUPAC Traditional name: N-{[1-(3,5-dimethylphenyl)cyclopentyl]methyl}-3-(2-methyl-6-oxopyridin-1-yl)propanamide
• Synonyms: N-{[1-(3,5-dimethylphenyl)cyclopentyl]methyl}-3-(6-methyl-2-oxopyridin-1(2H)-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.03982
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.7827022
• LogD (pH = 7.4): 3.7827024
• Log P: 3.7827024
• Molar Refractivity: 111.9835 cm^3
• Polarizability: 41.960728 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: 3.94
• LOG S: -5.24
• Polar Surface Area: 51.1 Å^2
• Rotatable Bonds: 6