N-[4-methoxy-2-(2-methylpropanamido)phenyl]-2-methylpentanamide

• ChemBase ID: 705750
• Molecular Formular: C17H26N2O3
• Molecular Mass: 306.39994
• Monoisotopic Mass: 306.1943427
• SMILES: N(C(=O)C(C)C)c1c(NC(=O)C(CCC)C)ccc(c1)OC
• Canonical SMILES: CCCC(C(=O)Nc1ccc(cc1NC(=O)C(C)C)OC)C
• InChI: InChI=1S/C17H26N2O3/c1-6-7-12(4)17(21)18-14-9-8-13(22-5)10-15(14)19-16(20)11(2)3/h8-12H,6-7H2,1-5H3,(H,18,21)(H,19,20)
• InChIKey: OWBGLOMYDPAVTD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-methoxy-2-(2-methylpropanamido)phenyl]-2-methylpentanamide
• IUPAC Traditional name: N-[4-methoxy-2-(2-methylpropanamido)phenyl]-2-methylpentanamide
• Synonyms: N-[2-(isobutyrylamino)-4-methoxyphenyl]-2-methylpentanamide

CALCULATED PROPERTIES

JChem

• Molar Refractivity: 89.852 cm^3
• Polarizability: 33.655148 Å^3
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• Acid pKa: 12.476471
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.6671767
• LogD (pH = 7.4): 3.6671734
• Log P: 3.667177

供应商提供(Chembridge)

• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 7
• H Acceptors: 3
• H Donor: 2
• Log P: 2.83
• LOG S: -3.85