2-methoxy-2-methyl-N-{2-[2-(trifluoromethyl)phenyl]ethyl}propanamide

• ChemBase ID: 370782
• Molecular Formular: C14H18F3NO2
• Molecular Mass: 289.2934296
• Monoisotopic Mass: 289.12896348
• SMILES: C(c1c(CCNC(=O)C(OC)(C)C)cccc1)(F)(F)F
• Canonical SMILES: COC(C(=O)NCCc1ccccc1C(F)(F)F)(C)C
• InChI: InChI=1S/C14H18F3NO2/c1-13(2,20-3)12(19)18-9-8-10-6-4-5-7-11(10)14(15,16)17/h4-7H,8-9H2,1-3H3,(H,18,19)
• InChIKey: JXZGVZGTAPORJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-2-methyl-N-{2-[2-(trifluoromethyl)phenyl]ethyl}propanamide
• IUPAC Traditional name: 2-methoxy-2-methyl-N-{2-[2-(trifluoromethyl)phenyl]ethyl}propanamide
• Synonyms: 2-methoxy-2-methyl-N-{2-[2-(trifluoromethyl)phenyl]ethyl}propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.528008
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.9117792
• LogD (pH = 7.4): 2.911779
• Log P: 2.9117792
• Molar Refractivity: 70.3645 cm^3
• Polarizability: 26.23141 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.23
• LOG S: -3.21
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 6