N-(2-ethoxyphenyl)-N'-[3-(2-methoxyphenyl)propyl]propanediamide

• ChemBase ID: 554312
• Molecular Formular: C21H26N2O4
• Molecular Mass: 370.44214
• Monoisotopic Mass: 370.18925732
• SMILES: C(=O)(Nc1c(OCC)cccc1)CC(=O)NCCCc1c(OC)cccc1
• Canonical SMILES: CCOc1ccccc1NC(=O)CC(=O)NCCCc1ccccc1OC
• InChI: InChI=1S/C21H26N2O4/c1-3-27-19-13-7-5-11-17(19)23-21(25)15-20(24)22-14-8-10-16-9-4-6-12-18(16)26-2/h4-7,9,11-13H,3,8,10,14-15H2,1-2H3,(H,22,24)(H,23,25)
• InChIKey: ULTXWWVHEVRHBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-ethoxyphenyl)-N'-[3-(2-methoxyphenyl)propyl]propanediamide
• IUPAC Traditional name: N-(2-ethoxyphenyl)-N'-[3-(2-methoxyphenyl)propyl]propanediamide
• Synonyms: N-(2-ethoxyphenyl)-N'-[3-(2-methoxyphenyl)propyl]malonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.164956
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 3.0190864
• LogD (pH = 7.4): 3.0190794
• Log P: 3.0190866
• Molar Refractivity: 105.6276 cm^3
• Polarizability: 40.255505 Å^3
• Polar Surface Area: 76.66 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.62
• LOG S: -4.14
• Polar Surface Area: 76.66 Å^2
• Rotatable Bonds: 10