N-[(4-ethoxyphenyl)methyl]-N-(2-methoxyethyl)-1,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide

• ChemBase ID: 670685
• Molecular Formular: C20H26N2O4
• Molecular Mass: 358.43144
• Monoisotopic Mass: 358.18925732
• SMILES: c1(c(=O)n(c(cc1)C)C)C(=O)N(Cc1ccc(cc1)OCC)CCOC
• Canonical SMILES: COCCN(C(=O)c1ccc(n(c1=O)C)C)Cc1ccc(cc1)OCC
• InChI: InChI=1S/C20H26N2O4/c1-5-26-17-9-7-16(8-10-17)14-22(12-13-25-4)20(24)18-11-6-15(2)21(3)19(18)23/h6-11H,5,12-14H2,1-4H3
• InChIKey: OHZPHVYSBIBURQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4-ethoxyphenyl)methyl]-N-(2-methoxyethyl)-1,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide
• IUPAC Traditional name: N-[(4-ethoxyphenyl)methyl]-N-(2-methoxyethyl)-1,6-dimethyl-2-oxopyridine-3-carboxamide
• Synonyms: N-(4-ethoxybenzyl)-N-(2-methoxyethyl)-1,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.5468973
• LogD (pH = 7.4): 1.5468975
• Log P: 1.5468975
• Molar Refractivity: 103.3189 cm^3
• Polarizability: 38.68547 Å^3
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.57
• LOG S: -3.15
• Polar Surface Area: 60.77 Å^2
• Rotatable Bonds: 8