2-{2-methyl-2,8-diazaspiro[4.5]decan-8-yl}-N-(4-methylphenyl)-2-oxoacetamide

• ChemBase ID: 453770
• Molecular Formular: C18H25N3O2
• Molecular Mass: 315.41
• Monoisotopic Mass: 315.19467706
• SMILES: C(=O)(C(=O)N1CCC2(CN(CC2)C)CC1)Nc1ccc(cc1)C
• Canonical SMILES: CN1CCC2(C1)CCN(CC2)C(=O)C(=O)Nc1ccc(cc1)C
• InChI: InChI=1S/C18H25N3O2/c1-14-3-5-15(6-4-14)19-16(22)17(23)21-11-8-18(9-12-21)7-10-20(2)13-18/h3-6H,7-13H2,1-2H3,(H,19,22)
• InChIKey: RWCZCFMFPRFMFT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{2-methyl-2,8-diazaspiro[4.5]decan-8-yl}-N-(4-methylphenyl)-2-oxoacetamide
• IUPAC Traditional name: 2-{2-methyl-2,8-diazaspiro[4.5]decan-8-yl}-N-(4-methylphenyl)-2-oxoacetamide
• Synonyms: 2-(2-methyl-2,8-diazaspiro[4.5]dec-8-yl)-N-(4-methylphenyl)-2-oxoacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.467469
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.6573809
• LogD (pH = 7.4): -0.33895805
• Log P: 1.716256
• Molar Refractivity: 92.3083 cm^3
• Polarizability: 34.822548 Å^3
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.94
• LOG S: -3.16
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 2