1-(4-methoxyphenyl)-N-methyl-N-[1-(pyridin-2-yl)ethyl]cyclopentane-1-carboxamide

• ChemBase ID: 510115
• Molecular Formular: C21H26N2O2
• Molecular Mass: 338.44334
• Monoisotopic Mass: 338.19942808
• SMILES: C(=O)(N(C(c1ncccc1)C)C)C1(c2ccc(cc2)OC)CCCC1
• Canonical SMILES: COc1ccc(cc1)C1(CCCC1)C(=O)N(C(c1ccccn1)C)C
• InChI: InChI=1S/C21H26N2O2/c1-16(19-8-4-7-15-22-19)23(2)20(24)21(13-5-6-14-21)17-9-11-18(25-3)12-10-17/h4,7-12,15-16H,5-6,13-14H2,1-3H3
• InChIKey: FFWWGLPFQAKBPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-methoxyphenyl)-N-methyl-N-[1-(pyridin-2-yl)ethyl]cyclopentane-1-carboxamide
• IUPAC Traditional name: 1-(4-methoxyphenyl)-N-methyl-N-[1-(pyridin-2-yl)ethyl]cyclopentane-1-carboxamide
• Synonyms: 1-(4-methoxyphenyl)-N-methyl-N-(1-pyridin-2-ylethyl)cyclopentanecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.7606475
• LogD (pH = 7.4): 3.7749949
• Log P: 3.7751813
• Molar Refractivity: 98.3471 cm^3
• Polarizability: 38.59364 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.93
• LOG S: -2.87
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 5