N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)propanamide

• ChemBase ID: 190401
• Molecular Formular: C20H25NO4
• Molecular Mass: 343.4168
• Monoisotopic Mass: 343.17835829
• SMILES: c1(c(ccc(c1)CCNC(=O)CCc1ccc(cc1)OC)OC)OC
• Canonical SMILES: COc1ccc(cc1)CCC(=O)NCCc1ccc(c(c1)OC)OC
• InChI: InChI=1S/C20H25NO4/c1-23-17-8-4-15(5-9-17)7-11-20(22)21-13-12-16-6-10-18(24-2)19(14-16)25-3/h4-6,8-10,14H,7,11-13H2,1-3H3,(H,21,22)
• InChIKey: ZFUSECMSYKCSBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164246311
• PubChem CID: 1745292

CALCULATED PROPERTIES

• Acid pKa: 15.47764
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.0124166
• LogD (pH = 7.4): 3.0124168
• Log P: 3.0124168
• Molar Refractivity: 97.4427 cm^3
• Polarizability: 37.88868 Å^3
• Polar Surface Area: 56.79 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds