2-{8-benzyl-9-oxo-2,8-diazaspiro[5.5]undecan-2-yl}acetamide

• ChemBase ID: 360394
• Molecular Formular: C18H25N3O2
• Molecular Mass: 315.41
• Monoisotopic Mass: 315.19467706
• SMILES: N1(C(=O)CCC2(C1)CN(CC(=O)N)CCC2)Cc1ccccc1
• Canonical SMILES: NC(=O)CN1CCCC2(C1)CCC(=O)N(C2)Cc1ccccc1
• InChI: InChI=1S/C18H25N3O2/c19-16(22)12-20-10-4-8-18(13-20)9-7-17(23)21(14-18)11-15-5-2-1-3-6-15/h1-3,5-6H,4,7-14H2,(H2,19,22)
• InChIKey: LQOYSTOJQDSTSG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{8-benzyl-9-oxo-2,8-diazaspiro[5.5]undecan-2-yl}acetamide
• IUPAC Traditional name: 2-{8-benzyl-9-oxo-2,8-diazaspiro[5.5]undecan-2-yl}acetamide
• Synonyms: 2-(8-benzyl-9-oxo-2,8-diazaspiro[5.5]undec-2-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.057577
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.2579379
• LogD (pH = 7.4): 0.3307156
• Log P: 0.6261341
• Molar Refractivity: 89.5156 cm^3
• Polarizability: 34.909546 Å^3
• Polar Surface Area: 66.64 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.99
• LOG S: -2.35
• Polar Surface Area: 66.64 Å^2
• Rotatable Bonds: 4