2-[(3-methoxyphenyl)amino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide

• ChemBase ID: 413170
• Molecular Formular: C20H33N3O2
• Molecular Mass: 347.49492
• Monoisotopic Mass: 347.25727731
• SMILES: C(=O)(NC1CC(NC(C1)(C)C)(C)C)C(Nc1cc(OC)ccc1)CC
• Canonical SMILES: CCC(C(=O)NC1CC(C)(C)NC(C1)(C)C)Nc1cccc(c1)OC
• InChI: InChI=1S/C20H33N3O2/c1-7-17(21-14-9-8-10-16(11-14)25-6)18(24)22-15-12-19(2,3)23-20(4,5)13-15/h8-11,15,17,21,23H,7,12-13H2,1-6H3,(H,22,24)
• InChIKey: WDQDGBQUKHJVNR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(3-methoxyphenyl)amino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide
• IUPAC Traditional name: 2-[(3-methoxyphenyl)amino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide
• Synonyms: 2-[(3-methoxyphenyl)amino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.671896
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -0.92001325
• LogD (pH = 7.4): -0.4834856
• Log P: 2.3124177
• Molar Refractivity: 102.8068 cm^3
• Polarizability: 39.93477 Å^3
• Polar Surface Area: 62.39 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: 3.17
• LOG S: -4.44
• Polar Surface Area: 62.39 Å^2
• Rotatable Bonds: 6