2-(2-methoxyphenyl)-N-[4-(pyridin-3-yloxy)phenyl]acetamide

• ChemBase ID: 341448
• Molecular Formular: C20H18N2O3
• Molecular Mass: 334.36852
• Monoisotopic Mass: 334.13174245
• SMILES: C(=O)(Nc1ccc(Oc2cnccc2)cc1)Cc1c(OC)cccc1
• Canonical SMILES: COc1ccccc1CC(=O)Nc1ccc(cc1)Oc1cccnc1
• InChI: InChI=1S/C20H18N2O3/c1-24-19-7-3-2-5-15(19)13-20(23)22-16-8-10-17(11-9-16)25-18-6-4-12-21-14-18/h2-12,14H,13H2,1H3,(H,22,23)
• InChIKey: RKNVQPZWAYCEFU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxyphenyl)-N-[4-(pyridin-3-yloxy)phenyl]acetamide
• IUPAC Traditional name: 2-(2-methoxyphenyl)-N-[4-(pyridin-3-yloxy)phenyl]acetamide
• Synonyms: 2-(2-methoxyphenyl)-N-[4-(3-pyridinyloxy)phenyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.365194
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.122902
• LogD (pH = 7.4): 3.169602
• Log P: 3.1702394
• Molar Refractivity: 96.19 cm^3
• Polarizability: 36.745354 Å^3
• Polar Surface Area: 60.45 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.22
• LOG S: -4.39
• Polar Surface Area: 60.45 Å^2
• Rotatable Bonds: 6