N-[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]-2-(piperidin-4-yl)acetamide

• ChemBase ID: 750135
• Molecular Formular: C17H26N2O2
• Molecular Mass: 290.40054
• Monoisotopic Mass: 290.19942808
• SMILES: C(=O)(NC(Cc1ccc(cc1)O)(C)C)CC1CCNCC1
• Canonical SMILES: O=C(NC(Cc1ccc(cc1)O)(C)C)CC1CCNCC1
• InChI: InChI=1S/C17H26N2O2/c1-17(2,12-14-3-5-15(20)6-4-14)19-16(21)11-13-7-9-18-10-8-13/h3-6,13,18,20H,7-12H2,1-2H3,(H,19,21)
• InChIKey: YCDFMIHCRIXJLC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]-2-(piperidin-4-yl)acetamide
• IUPAC Traditional name: N-[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]-2-(piperidin-4-yl)acetamide
• Synonyms: N-[2-(4-hydroxyphenyl)-1,1-dimethylethyl]-2-piperidin-4-ylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.396438
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -1.3244317
• LogD (pH = 7.4): -0.5924591
• Log P: 1.0451846
• Molar Refractivity: 84.7748 cm^3
• Polarizability: 33.194866 Å^3
• Polar Surface Area: 61.36 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: 1.56
• LOG S: -2.07
• Polar Surface Area: 61.36 Å^2
• Rotatable Bonds: 5