N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1,4-dihydropyridin-1-yl]acetamide

• ChemBase ID: 225462
• Molecular Formular: C18H22N2O6
• Molecular Mass: 362.37708
• Monoisotopic Mass: 362.14778643
• SMILES: n1(cc(c(=O)cc1CO)OC)CC(=O)NCc1cc(c(cc1)OC)OC
• Canonical SMILES: OCc1cc(=O)c(cn1CC(=O)NCc1ccc(c(c1)OC)OC)OC
• InChI: InChI=1S/C18H22N2O6/c1-24-15-5-4-12(6-16(15)25-2)8-19-18(23)10-20-9-17(26-3)14(22)7-13(20)11-21/h4-7,9,21H,8,10-11H2,1-3H3,(H,19,23)
• InChIKey: JAMWDRSEXNHFIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(hydroxymethyl)-5-methoxy-4-oxo-1,4-dihydropyridin-1-yl]acetamide
• IUPAC Traditional name: N-[(3,4-dimethoxyphenyl)methyl]-2-[2-(hydroxymethyl)-5-methoxy-4-oxopyridin-1-yl]acetamide

Database IDs

• PubChem SID: 164281372
• PubChem CID: 56763659

CALCULATED PROPERTIES

• Acid pKa: 14.553267
• H Acceptors: 7
• H Donor: 2
• LogD (pH = 5.5): -0.018187338
• LogD (pH = 7.4): -0.01818731
• Log P: -0.01818728
• Molar Refractivity: 97.335 cm^3
• Polarizability: 36.365345 Å^3
• Polar Surface Area: 97.33 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds