N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4,5-trimethoxybenzamide

• ChemBase ID: 181304
• Molecular Formular: C20H25NO6
• Molecular Mass: 375.4156
• Monoisotopic Mass: 375.16818753
• SMILES: c1(c(cc(C(=O)NCCc2cc(c(cc2)OC)OC)cc1OC)OC)OC
• Canonical SMILES: COc1ccc(cc1OC)CCNC(=O)c1cc(OC)c(c(c1)OC)OC
• InChI: InChI=1S/C20H25NO6/c1-23-15-7-6-13(10-16(15)24-2)8-9-21-20(22)14-11-17(25-3)19(27-5)18(12-14)26-4/h6-7,10-12H,8-9H2,1-5H3,(H,21,22)
• InChIKey: AKJIFZLYILOOGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4,5-trimethoxybenzamide
• IUPAC Traditional name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4,5-trimethoxybenzamide

Database IDs

• PubChem SID: 164237214
• PubChem CID: 1755804

CALCULATED PROPERTIES

• Acid pKa: 14.364403
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 2.27234
• LogD (pH = 7.4): 2.27234
• Log P: 2.27234
• Molar Refractivity: 101.7167 cm^3
• Polarizability: 39.058926 Å^3
• Polar Surface Area: 75.25 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds