N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(1,6-dimethyl-4-oxo-1,4-dihydropyridin-3-yl)oxy]acetamide

• ChemBase ID: 226426
• Molecular Formular: C19H24N2O5
• Molecular Mass: 360.40426
• Monoisotopic Mass: 360.16852188
• SMILES: c1(cn(c(cc1=O)C)C)OCC(=O)NCCc1cc(c(cc1)OC)OC
• Canonical SMILES: COc1cc(CCNC(=O)COc2cn(C)c(cc2=O)C)ccc1OC
• InChI: InChI=1S/C19H24N2O5/c1-13-9-15(22)18(11-21(13)2)26-12-19(23)20-8-7-14-5-6-16(24-3)17(10-14)25-4/h5-6,9-11H,7-8,12H2,1-4H3,(H,20,23)
• InChIKey: FDBSVZCBBFWSRV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(1,6-dimethyl-4-oxo-1,4-dihydropyridin-3-yl)oxy]acetamide
• IUPAC Traditional name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(1,6-dimethyl-4-oxopyridin-3-yl)oxy]acetamide

Database IDs

• PubChem SID: 164282336
• PubChem CID: 71692368

CALCULATED PROPERTIES

• Acid pKa: 14.978243
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.3173834
• LogD (pH = 7.4): 1.3173839
• Log P: 1.3173839
• Molar Refractivity: 100.5463 cm^3
• Polarizability: 37.54654 Å^3
• Polar Surface Area: 77.1 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds