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

• ChemBase ID: 225142
• Molecular Formular: C19H24N2O6
• Molecular Mass: 376.40366
• Monoisotopic Mass: 376.1634365
• SMILES: n1(cc(c(=O)cc1CO)OC)CC(=O)NCCc1cc(c(cc1)OC)OC
• Canonical SMILES: OCc1cc(=O)c(cn1CC(=O)NCCc1ccc(c(c1)OC)OC)OC
• InChI: InChI=1S/C19H24N2O6/c1-25-16-5-4-13(8-17(16)26-2)6-7-20-19(24)11-21-10-18(27-3)15(23)9-14(21)12-22/h4-5,8-10,22H,6-7,11-12H2,1-3H3,(H,20,24)
• InChIKey: XQKPQYLDGZAKRZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164281052
• PubChem CID: 16853191

CALCULATED PROPERTIES

• Acid pKa: 14.6450815
• H Acceptors: 7
• H Donor: 2
• LogD (pH = 5.5): 0.27047384
• LogD (pH = 7.4): 0.2704739
• Log P: 0.27047393
• Molar Refractivity: 102.09 cm^3
• Polarizability: 38.198563 Å^3
• Polar Surface Area: 97.33 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds