2-cyclopentyl-N-[(4-methoxypyridin-2-yl)methyl]-2-phenylacetamide

• ChemBase ID: 433868
• Molecular Formular: C20H24N2O2
• Molecular Mass: 324.41676
• Monoisotopic Mass: 324.18377802
• SMILES: C(=O)(NCc1nccc(c1)OC)C(c1ccccc1)C1CCCC1
• Canonical SMILES: COc1ccnc(c1)CNC(=O)C(c1ccccc1)C1CCCC1
• InChI: InChI=1S/C20H24N2O2/c1-24-18-11-12-21-17(13-18)14-22-20(23)19(16-9-5-6-10-16)15-7-3-2-4-8-15/h2-4,7-8,11-13,16,19H,5-6,9-10,14H2,1H3,(H,22,23)
• InChIKey: VQYPTCPYFNTQRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopentyl-N-[(4-methoxypyridin-2-yl)methyl]-2-phenylacetamide
• IUPAC Traditional name: 2-cyclopentyl-N-[(4-methoxypyridin-2-yl)methyl]-2-phenylacetamide
• Synonyms: 2-cyclopentyl-N-[(4-methoxypyridin-2-yl)methyl]-2-phenylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.984825
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.8464525
• LogD (pH = 7.4): 3.152384
• Log P: 3.1583142
• Molar Refractivity: 93.6051 cm^3
• Polarizability: 36.74939 Å^3
• Polar Surface Area: 51.22 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.98
• LOG S: -4.11
• Polar Surface Area: 51.22 Å^2
• Rotatable Bonds: 6