N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxybenzamido)benzamide

• ChemBase ID: 194015
• Molecular Formular: C25H26N2O5
• Molecular Mass: 434.48434
• Monoisotopic Mass: 434.18417194
• SMILES: c1(c(NC(=O)c2ccc(cc2)OC)cccc1)C(=O)NCCc1cc(c(cc1)OC)OC
• Canonical SMILES: COc1ccc(cc1)C(=O)Nc1ccccc1C(=O)NCCc1ccc(c(c1)OC)OC
• InChI: InChI=1S/C25H26N2O5/c1-30-19-11-9-18(10-12-19)24(28)27-21-7-5-4-6-20(21)25(29)26-15-14-17-8-13-22(31-2)23(16-17)32-3/h4-13,16H,14-15H2,1-3H3,(H,26,29)(H,27,28)
• InChIKey: SFKJKNKTPACGPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164249925
• PubChem CID: 1293657

CALCULATED PROPERTIES

• Acid pKa: 10.740947
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 4.329565
• LogD (pH = 7.4): 4.3293796
• Log P: 4.3295674
• Molar Refractivity: 124.3238 cm^3
• Polarizability: 46.6015 Å^3
• Polar Surface Area: 85.89 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds