N-benzyl-2-[2-(2-methoxyethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]acetamide

• ChemBase ID: 538719
• Molecular Formular: C21H31N3O3
• Molecular Mass: 373.48914
• Monoisotopic Mass: 373.23654187
• SMILES: N1(C(=O)CCC2(C1)CCN(CC(=O)NCc1ccccc1)CC2)CCOC
• Canonical SMILES: COCCN1CC2(CCN(CC2)CC(=O)NCc2ccccc2)CCC1=O
• InChI: InChI=1S/C21H31N3O3/c1-27-14-13-24-17-21(8-7-20(24)26)9-11-23(12-10-21)16-19(25)22-15-18-5-3-2-4-6-18/h2-6H,7-17H2,1H3,(H,22,25)
• InChIKey: WJIIMZHUAAHCGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-2-[2-(2-methoxyethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]acetamide
• IUPAC Traditional name: N-benzyl-2-[2-(2-methoxyethyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]acetamide
• Synonyms: N-benzyl-2-[2-(2-methoxyethyl)-3-oxo-2,9-diazaspiro[5.5]undec-9-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.440088
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.4810725
• LogD (pH = 7.4): 0.20751725
• Log P: 0.6469272
• Molar Refractivity: 105.6098 cm^3
• Polarizability: 41.128998 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: 1.44
• LOG S: -3.15
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 7