N-[1-(3,4-dimethoxyphenyl)propyl]-3-(6-methyl-2-oxo-1,2-dihydropyridin-1-yl)propanamide

• ChemBase ID: 340635
• Molecular Formular: C20H26N2O4
• Molecular Mass: 358.43144
• Monoisotopic Mass: 358.18925732
• SMILES: n1(c(=O)cccc1C)CCC(=O)NC(c1cc(c(cc1)OC)OC)CC
• Canonical SMILES: CCC(c1ccc(c(c1)OC)OC)NC(=O)CCn1c(C)cccc1=O
• InChI: InChI=1S/C20H26N2O4/c1-5-16(15-9-10-17(25-3)18(13-15)26-4)21-19(23)11-12-22-14(2)7-6-8-20(22)24/h6-10,13,16H,5,11-12H2,1-4H3,(H,21,23)
• InChIKey: ZICGUFJHZRHCHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(3,4-dimethoxyphenyl)propyl]-3-(6-methyl-2-oxo-1,2-dihydropyridin-1-yl)propanamide
• IUPAC Traditional name: N-[1-(3,4-dimethoxyphenyl)propyl]-3-(2-methyl-6-oxopyridin-1-yl)propanamide
• Synonyms: N-[1-(3,4-dimethoxyphenyl)propyl]-3-(6-methyl-2-oxopyridin-1(2H)-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.284852
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.9225681
• LogD (pH = 7.4): 1.9225682
• Log P: 1.9225682
• Molar Refractivity: 102.7458 cm^3
• Polarizability: 38.670326 Å^3
• Polar Surface Area: 67.87 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.85
• LOG S: -3.39
• Polar Surface Area: 69.56 Å^2
• Rotatable Bonds: 8