N-(2-ethoxyphenyl)-N'-methyl-N'-[(2E)-3-phenylprop-2-en-1-yl]propanediamide

• ChemBase ID: 769810
• Molecular Formular: C21H24N2O3
• Molecular Mass: 352.42686
• Monoisotopic Mass: 352.17869264
• SMILES: C(=O)(CC(=O)Nc1c(OCC)cccc1)N(C/C=C/c1ccccc1)C
• Canonical SMILES: CCOc1ccccc1NC(=O)CC(=O)N(C/C=C/c1ccccc1)C
• InChI: InChI=1S/C21H24N2O3/c1-3-26-19-14-8-7-13-18(19)22-20(24)16-21(25)23(2)15-9-12-17-10-5-4-6-11-17/h4-14H,3,15-16H2,1-2H3,(H,22,24)/b12-9+
• InChIKey: ALVXEXXUWXYNFD-FMIVXFBMSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-ethoxyphenyl)-N'-methyl-N'-[(2E)-3-phenylprop-2-en-1-yl]propanediamide
• IUPAC Traditional name: N-(2-ethoxyphenyl)-N'-methyl-N'-[(2E)-3-phenylprop-2-en-1-yl]propanediamide
• Synonyms: N'-(2-ethoxyphenyl)-N-methyl-N-[(2E)-3-phenylprop-2-en-1-yl]malonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.15959
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.2771196
• LogD (pH = 7.4): 3.2771125
• Log P: 3.2771196
• Molar Refractivity: 105.0237 cm^3
• Polarizability: 39.411682 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.03
• LOG S: -4.35
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 8