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

• ChemBase ID: 188868
• Molecular Formular: C19H23NO3
• Molecular Mass: 313.39082
• Monoisotopic Mass: 313.1677936
• SMILES: c1(c(ccc(c1)CCNC(=O)CCc1ccccc1)OC)OC
• Canonical SMILES: COc1cc(CCNC(=O)CCc2ccccc2)ccc1OC
• InChI: InChI=1S/C19H23NO3/c1-22-17-10-8-16(14-18(17)23-2)12-13-20-19(21)11-9-15-6-4-3-5-7-15/h3-8,10,14H,9,11-13H2,1-2H3,(H,20,21)
• InChIKey: XZQORMQJAFYPRT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164244778
• PubChem CID: 871055

CALCULATED PROPERTIES

• Acid pKa: 15.654543
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.1700878
• LogD (pH = 7.4): 3.170088
• Log P: 3.170088
• Molar Refractivity: 90.9795 cm^3
• Polarizability: 35.37454 Å^3
• Polar Surface Area: 47.56 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds