N-methyl-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide

• ChemBase ID: 416805
• Molecular Formular: C25H38N4O2
• Molecular Mass: 426.59482
• Monoisotopic Mass: 426.29947648
• SMILES: n1nc(oc1CCC(=O)N(C1CC(NC(C1)(C)C)(C)C)C)CCCCc1ccccc1
• Canonical SMILES: CN(C1CC(C)(C)NC(C1)(C)C)C(=O)CCc1nnc(o1)CCCCc1ccccc1
• InChI: InChI=1S/C25H38N4O2/c1-24(2)17-20(18-25(3,4)28-24)29(5)23(30)16-15-22-27-26-21(31-22)14-10-9-13-19-11-7-6-8-12-19/h6-8,11-12,20,28H,9-10,13-18H2,1-5H3
• InChIKey: IDDYGXOICRRQLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
• IUPAC Traditional name: N-methyl-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
• Synonyms: N-methyl-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]-N-(2,2,6,6-tetramethyl-4-piperidinyl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.36010453
• LogD (pH = 7.4): 0.07678563
• Log P: 2.8721948
• Molar Refractivity: 125.1692 cm^3
• Polarizability: 48.186966 Å^3
• Polar Surface Area: 71.26 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.33
• LOG S: -5.55
• Polar Surface Area: 71.26 Å^2
• Rotatable Bonds: 9