N-(2,5-dimethoxyphenyl)-N'-[2-(2-ethoxyphenyl)ethyl]propanediamide

• ChemBase ID: 741981
• Molecular Formular: C21H26N2O5
• Molecular Mass: 386.44154
• Monoisotopic Mass: 386.18417194
• SMILES: C(=O)(Nc1cc(ccc1OC)OC)CC(=O)NCCc1c(OCC)cccc1
• Canonical SMILES: CCOc1ccccc1CCNC(=O)CC(=O)Nc1cc(OC)ccc1OC
• InChI: InChI=1S/C21H26N2O5/c1-4-28-18-8-6-5-7-15(18)11-12-22-20(24)14-21(25)23-17-13-16(26-2)9-10-19(17)27-3/h5-10,13H,4,11-12,14H2,1-3H3,(H,22,24)(H,23,25)
• InChIKey: MFULKOUVGVOMQH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,5-dimethoxyphenyl)-N'-[2-(2-ethoxyphenyl)ethyl]propanediamide
• IUPAC Traditional name: N-(2,5-dimethoxyphenyl)-N'-[2-(2-ethoxyphenyl)ethyl]propanediamide
• Synonyms: N-(2,5-dimethoxyphenyl)-N'-[2-(2-ethoxyphenyl)ethyl]malonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.946537
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 2.4168465
• LogD (pH = 7.4): 2.4168348
• Log P: 2.4168465
• Molar Refractivity: 107.4898 cm^3
• Polarizability: 40.94374 Å^3
• Polar Surface Area: 85.89 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 2.27
• LOG S: -3.95
• Polar Surface Area: 85.89 Å^2
• Rotatable Bonds: 10