N-[1-(4-hydroxyphenyl)ethyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

• ChemBase ID: 762780
• Molecular Formular: C19H30N2O2
• Molecular Mass: 318.4537
• Monoisotopic Mass: 318.23072821
• SMILES: N1C(CC(CC(=O)NC(c2ccc(cc2)O)C)CC1(C)C)(C)C
• Canonical SMILES: CC(c1ccc(cc1)O)NC(=O)CC1CC(C)(C)NC(C1)(C)C
• InChI: InChI=1S/C19H30N2O2/c1-13(15-6-8-16(22)9-7-15)20-17(23)10-14-11-18(2,3)21-19(4,5)12-14/h6-9,13-14,21-22H,10-12H2,1-5H3,(H,20,23)
• InChIKey: IWLYZUFCQUFGKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(4-hydroxyphenyl)ethyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
• IUPAC Traditional name: N-[1-(4-hydroxyphenyl)ethyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
• Synonyms: N-[1-(4-hydroxyphenyl)ethyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.436811
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -0.51041317
• LogD (pH = 7.4): 0.034852415
• Log P: 1.7328241
• Molar Refractivity: 93.4956 cm^3
• Polarizability: 36.879406 Å^3
• Polar Surface Area: 61.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: 2.89
• LOG S: -3.41
• Polar Surface Area: 61.36 Å^2
• Rotatable Bonds: 4