N-[1-(4-methoxyphenyl)ethyl]-N,3-dimethylbut-2-enamide

• ChemBase ID: 677181
• Molecular Formular: C15H21NO2
• Molecular Mass: 247.33274
• Monoisotopic Mass: 247.15722892
• SMILES: C(=O)(N(C(c1ccc(cc1)OC)C)C)C=C(C)C
• Canonical SMILES: COc1ccc(cc1)C(N(C(=O)C=C(C)C)C)C
• InChI: InChI=1S/C15H21NO2/c1-11(2)10-15(17)16(4)12(3)13-6-8-14(18-5)9-7-13/h6-10,12H,1-5H3
• InChIKey: KUSRHICXFYAZOB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(4-methoxyphenyl)ethyl]-N,3-dimethylbut-2-enamide
• IUPAC Traditional name: N-[1-(4-methoxyphenyl)ethyl]-N,3-dimethylbut-2-enamide
• Synonyms: N-[1-(4-methoxyphenyl)ethyl]-N,3-dimethylbut-2-enamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7867293
• LogD (pH = 7.4): 2.78673
• Log P: 2.78673
• Molar Refractivity: 74.3571 cm^3
• Polarizability: 28.545424 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.52
• LOG S: -3.16
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 4