2-[7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-N-[(2-methylphenyl)methyl]acetamide

• ChemBase ID: 598957
• Molecular Formular: C21H31N3O3
• Molecular Mass: 373.48914
• Monoisotopic Mass: 373.23654187
• SMILES: C12(C(=O)N(CCC2)CCOC)CN(CC(=O)NCc2c(C)cccc2)CC1
• Canonical SMILES: COCCN1CCCC2(C1=O)CCN(C2)CC(=O)NCc1ccccc1C
• InChI: InChI=1S/C21H31N3O3/c1-17-6-3-4-7-18(17)14-22-19(25)15-23-11-9-21(16-23)8-5-10-24(20(21)26)12-13-27-2/h3-4,6-7H,5,8-16H2,1-2H3,(H,22,25)
• InChIKey: BUUSVNAOGZYHMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-N-[(2-methylphenyl)methyl]acetamide
• IUPAC Traditional name: 2-[7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-N-[(2-methylphenyl)methyl]acetamide
• Synonyms: 2-[7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]dec-2-yl]-N-(2-methylbenzyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.446494
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.4814427
• LogD (pH = 7.4): 0.29080474
• Log P: 1.2277143
• Molar Refractivity: 106.1018 cm^3
• Polarizability: 41.052433 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: 1.94
• LOG S: -3.58
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 7