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

• ChemBase ID: 191590
• Molecular Formular: C19H22N2O5
• Molecular Mass: 358.38838
• Monoisotopic Mass: 358.15287181
• SMILES: C(=O)(C(=O)NCCc1cc(c(cc1)OC)OC)Nc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)NC(=O)C(=O)NCCc1ccc(c(c1)OC)OC
• InChI: InChI=1S/C19H22N2O5/c1-24-15-7-5-14(6-8-15)21-19(23)18(22)20-11-10-13-4-9-16(25-2)17(12-13)26-3/h4-9,12H,10-11H2,1-3H3,(H,20,22)(H,21,23)
• InChIKey: JEGDHORTBVGJMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164247500
• PubChem CID: 1595627

CALCULATED PROPERTIES

• Acid pKa: 11.529507
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 2.127404
• LogD (pH = 7.4): 2.127374
• Log P: 2.1274042
• Molar Refractivity: 98.192 cm^3
• Polarizability: 37.269737 Å^3
• Polar Surface Area: 85.89 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds