N-(2-acetamidophenyl)-2-[4-(3-methylphenoxy)piperidin-1-yl]acetamide

• ChemBase ID: 641429
• Molecular Formular: C22H27N3O3
• Molecular Mass: 381.46808
• Monoisotopic Mass: 381.20524174
• SMILES: C(=O)(Nc1c(NC(=O)C)cccc1)CN1CCC(Oc2cc(ccc2)C)CC1
• Canonical SMILES: O=C(Nc1ccccc1NC(=O)C)CN1CCC(CC1)Oc1cccc(c1)C
• InChI: InChI=1S/C22H27N3O3/c1-16-6-5-7-19(14-16)28-18-10-12-25(13-11-18)15-22(27)24-21-9-4-3-8-20(21)23-17(2)26/h3-9,14,18H,10-13,15H2,1-2H3,(H,23,26)(H,24,27)
• InChIKey: QCYAGMGZZPVKRP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-acetamidophenyl)-2-[4-(3-methylphenoxy)piperidin-1-yl]acetamide
• IUPAC Traditional name: N-(2-acetamidophenyl)-2-[4-(3-methylphenoxy)piperidin-1-yl]acetamide
• Synonyms: N-[2-(acetylamino)phenyl]-2-[4-(3-methylphenoxy)piperidin-1-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.3221855
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.3855121
• LogD (pH = 7.4): 2.443554
• Log P: 2.5057976
• Molar Refractivity: 112.2384 cm^3
• Polarizability: 42.12876 Å^3
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.55
• LOG S: -4.16
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 6