N-[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]-3-(1-methylpiperidin-3-yl)propanamide

• ChemBase ID: 652393
• Molecular Formular: C19H30N2O2
• Molecular Mass: 318.4537
• Monoisotopic Mass: 318.23072821
• SMILES: N1(CC(CCC(=O)NC(Cc2ccc(cc2)O)(C)C)CCC1)C
• Canonical SMILES: CN1CCCC(C1)CCC(=O)NC(Cc1ccc(cc1)O)(C)C
• InChI: InChI=1S/C19H30N2O2/c1-19(2,13-15-6-9-17(22)10-7-15)20-18(23)11-8-16-5-4-12-21(3)14-16/h6-7,9-10,16,22H,4-5,8,11-14H2,1-3H3,(H,20,23)
• InChIKey: PHGLVORRLSDIJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]-3-(1-methylpiperidin-3-yl)propanamide
• IUPAC Traditional name: N-[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]-3-(1-methylpiperidin-3-yl)propanamide
• Synonyms: N-[2-(4-hydroxyphenyl)-1,1-dimethylethyl]-3-(1-methylpiperidin-3-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.646416
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.44312602
• LogD (pH = 7.4): 1.1058594
• Log P: 2.3367708
• Molar Refractivity: 94.5935 cm^3
• Polarizability: 36.88183 Å^3
• Polar Surface Area: 52.57 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: 2.31
• LOG S: -2.92
• Polar Surface Area: 52.57 Å^2
• Rotatable Bonds: 6