N-(2-methylphenyl)-2-[(1-phenoxypropan-2-yl)amino]acetamide

• ChemBase ID: 445617
• Molecular Formular: C18H22N2O2
• Molecular Mass: 298.37948
• Monoisotopic Mass: 298.16812795
• SMILES: N(C(=O)CNC(COc1ccccc1)C)c1c(C)cccc1
• Canonical SMILES: CC(NCC(=O)Nc1ccccc1C)COc1ccccc1
• InChI: InChI=1S/C18H22N2O2/c1-14-8-6-7-11-17(14)20-18(21)12-19-15(2)13-22-16-9-4-3-5-10-16/h3-11,15,19H,12-13H2,1-2H3,(H,20,21)
• InChIKey: IGQYTEOFZUCLKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methylphenyl)-2-[(1-phenoxypropan-2-yl)amino]acetamide
• IUPAC Traditional name: N-(2-methylphenyl)-2-[(1-phenoxypropan-2-yl)amino]acetamide
• Synonyms: 2-[(1-methyl-2-phenoxyethyl)amino]-N-(2-methylphenyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.643933
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.7549719
• LogD (pH = 7.4): 2.4880984
• Log P: 3.2934527
• Molar Refractivity: 89.0675 cm^3
• Polarizability: 34.305855 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.83
• LOG S: -3.8
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 7