N'-(2,4-dimethoxyphenyl)-N-(2-methylprop-2-en-1-yl)propanediamide

• ChemBase ID: 636803
• Molecular Formular: C15H20N2O4
• Molecular Mass: 292.3303
• Monoisotopic Mass: 292.14230713
• SMILES: C(=O)(Nc1c(cc(cc1)OC)OC)CC(=O)NCC(=C)C
• Canonical SMILES: COc1cc(OC)ccc1NC(=O)CC(=O)NCC(=C)C
• InChI: InChI=1S/C15H20N2O4/c1-10(2)9-16-14(18)8-15(19)17-12-6-5-11(20-3)7-13(12)21-4/h5-7H,1,8-9H2,2-4H3,(H,16,18)(H,17,19)
• InChIKey: VIKIMUNVNHNGSP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-(2,4-dimethoxyphenyl)-N-(2-methylprop-2-en-1-yl)propanediamide
• IUPAC Traditional name: N'-(2,4-dimethoxyphenyl)-N-(2-methylprop-2-en-1-yl)propanediamide
• Synonyms: N-(2,4-dimethoxyphenyl)-N'-(2-methylprop-2-en-1-yl)malonamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.430098
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.1791866
• LogD (pH = 7.4): 1.1791828
• Log P: 1.1791867
• Molar Refractivity: 80.3551 cm^3
• Polarizability: 30.442566 Å^3
• Polar Surface Area: 76.66 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.89
• LOG S: -2.1
• Polar Surface Area: 76.66 Å^2
• Rotatable Bonds: 7