4-methyl-N-{2-methyl-5-[2-(propan-2-yloxy)acetamido]phenyl}benzamide

• ChemBase ID: 504274
• Molecular Formular: C20H24N2O3
• Molecular Mass: 340.41616
• Monoisotopic Mass: 340.17869264
• SMILES: C(=O)(Nc1cc(NC(=O)COC(C)C)ccc1C)c1ccc(cc1)C
• Canonical SMILES: O=C(Nc1ccc(c(c1)NC(=O)c1ccc(cc1)C)C)COC(C)C
• InChI: InChI=1S/C20H24N2O3/c1-13(2)25-12-19(23)21-17-10-7-15(4)18(11-17)22-20(24)16-8-5-14(3)6-9-16/h5-11,13H,12H2,1-4H3,(H,21,23)(H,22,24)
• InChIKey: ILFLIEWUERPLNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-N-{2-methyl-5-[2-(propan-2-yloxy)acetamido]phenyl}benzamide
• IUPAC Traditional name: N-[5-(2-isopropoxyacetamido)-2-methylphenyl]-4-methylbenzamide
• Synonyms: N-{5-[(isopropoxyacetyl)amino]-2-methylphenyl}-4-methylbenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.027385
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.9289453
• LogD (pH = 7.4): 3.9289443
• Log P: 3.9289453
• Molar Refractivity: 102.1577 cm^3
• Polarizability: 37.558865 Å^3
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.51
• LOG S: -3.83
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 6