3-(3-hydroxy-3-methylbutyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide

• ChemBase ID: 734767
• Molecular Formular: C22H36N2O2
• Molecular Mass: 360.53344
• Monoisotopic Mass: 360.2776784
• SMILES: C(=O)(N(C1CC(NC(C1)(C)C)(C)C)C)c1cc(CCC(O)(C)C)ccc1
• Canonical SMILES: CN(C(=O)c1cccc(c1)CCC(O)(C)C)C1CC(C)(C)NC(C1)(C)C
• InChI: InChI=1S/C22H36N2O2/c1-20(2)14-18(15-21(3,4)23-20)24(7)19(25)17-10-8-9-16(13-17)11-12-22(5,6)26/h8-10,13,18,23,26H,11-12,14-15H2,1-7H3
• InChIKey: YEWCENCACHTXFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3-hydroxy-3-methylbutyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
• IUPAC Traditional name: 3-(3-hydroxy-3-methylbutyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
• Synonyms: 3-(3-hydroxy-3-methylbutyl)-N-methyl-N-(2,2,6,6-tetramethyl-4-piperidinyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.385128
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.2599672
• LogD (pH = 7.4): 0.17693289
• Log P: 2.9723315
• Molar Refractivity: 108.4291 cm^3
• Polarizability: 42.129803 Å^3
• Polar Surface Area: 52.57 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.06
• LOG S: -4.44
• Polar Surface Area: 52.57 Å^2
• Rotatable Bonds: 5