2-{2,7-diazaspiro[4.5]decan-7-yl}-N-(3,5-dimethylphenyl)-2-oxoacetamide

• ChemBase ID: 678575
• Molecular Formular: C18H25N3O2
• Molecular Mass: 315.41
• Monoisotopic Mass: 315.19467706
• SMILES: N1(C(=O)C(=O)Nc2cc(cc(c2)C)C)CC2(CNCC2)CCC1
• Canonical SMILES: Cc1cc(cc(c1)C)NC(=O)C(=O)N1CCCC2(C1)CCNC2
• InChI: InChI=1S/C18H25N3O2/c1-13-8-14(2)10-15(9-13)20-16(22)17(23)21-7-3-4-18(12-21)5-6-19-11-18/h8-10,19H,3-7,11-12H2,1-2H3,(H,20,22)
• InChIKey: LJYJKLOCGMQZKZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{2,7-diazaspiro[4.5]decan-7-yl}-N-(3,5-dimethylphenyl)-2-oxoacetamide
• IUPAC Traditional name: 2-{2,7-diazaspiro[4.5]decan-7-yl}-N-(3,5-dimethylphenyl)-2-oxoacetamide
• Synonyms: 2-(2,7-diazaspiro[4.5]dec-7-yl)-N-(3,5-dimethylphenyl)-2-oxoacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.467983
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.2372079
• LogD (pH = 7.4): -1.0880086
• Log P: 1.5203013
• Molar Refractivity: 91.9008 cm^3
• Polarizability: 34.746105 Å^3
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.47
• LOG S: -2.76
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 2