N-(3,4-dimethylphenyl)-2-[2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]acetamide

• ChemBase ID: 504136
• Molecular Formular: C22H33N3O3
• Molecular Mass: 387.51572
• Monoisotopic Mass: 387.25219193
• SMILES: N1(C(=O)CC2(C1)CCN(CC(=O)Nc1cc(c(cc1)C)C)CC2)CCCOC
• Canonical SMILES: COCCCN1CC2(CC1=O)CCN(CC2)CC(=O)Nc1ccc(c(c1)C)C
• InChI: InChI=1S/C22H33N3O3/c1-17-5-6-19(13-18(17)2)23-20(26)15-24-10-7-22(8-11-24)14-21(27)25(16-22)9-4-12-28-3/h5-6,13H,4,7-12,14-16H2,1-3H3,(H,23,26)
• InChIKey: LIGJOBJSUAPRPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3,4-dimethylphenyl)-2-[2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]acetamide
• IUPAC Traditional name: N-(3,4-dimethylphenyl)-2-[2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]acetamide
• Synonyms: N-(3,4-dimethylphenyl)-2-[2-(3-methoxypropyl)-3-oxo-2,8-diazaspiro[4.5]dec-8-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.817668
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.13797311
• LogD (pH = 7.4): 1.3624012
• Log P: 1.5822563
• Molar Refractivity: 112.9024 cm^3
• Polarizability: 42.80646 Å^3
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.68
• LOG S: -4.31
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 7