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

• ChemBase ID: 641299
• Molecular Formular: C19H28N2O3
• Molecular Mass: 332.43722
• Monoisotopic Mass: 332.20999277
• SMILES: C(=O)(Nc1c(NC(=O)COC(C)C)cc(cc1)C)C1CCCCC1
• Canonical SMILES: CC(OCC(=O)Nc1cc(C)ccc1NC(=O)C1CCCCC1)C
• InChI: InChI=1S/C19H28N2O3/c1-13(2)24-12-18(22)20-17-11-14(3)9-10-16(17)21-19(23)15-7-5-4-6-8-15/h9-11,13,15H,4-8,12H2,1-3H3,(H,20,22)(H,21,23)
• InChIKey: MARGLDLFYCJZBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.981043
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.6748514
• LogD (pH = 7.4): 3.6748407
• Log P: 3.6748517
• Molar Refractivity: 97.6482 cm^3
• Polarizability: 36.54894 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: 2.99
• LOG S: -4.18
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 6