2-{1,8-dioxa-4,11-diazaspiro[5.6]dodecan-4-yl}-N-(2-ethylphenyl)-2-oxoacetamide

• ChemBase ID: 313817
• Molecular Formular: C18H25N3O4
• Molecular Mass: 347.4088
• Monoisotopic Mass: 347.1845063
• SMILES: N1(C(=O)C(=O)Nc2c(CC)cccc2)CC2(OCC1)CNCCOC2
• Canonical SMILES: CCc1ccccc1NC(=O)C(=O)N1CCOC2(C1)CNCCOC2
• InChI: InChI=1S/C18H25N3O4/c1-2-14-5-3-4-6-15(14)20-16(22)17(23)21-8-10-25-18(12-21)11-19-7-9-24-13-18/h3-6,19H,2,7-13H2,1H3,(H,20,22)
• InChIKey: ZFOOCTQRLAORFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{1,8-dioxa-4,11-diazaspiro[5.6]dodecan-4-yl}-N-(2-ethylphenyl)-2-oxoacetamide
• IUPAC Traditional name: 2-{1,8-dioxa-4,11-diazaspiro[5.6]dodecan-4-yl}-N-(2-ethylphenyl)-2-oxoacetamide
• Synonyms: 2-(1,8-dioxa-4,11-diazaspiro[5.6]dodec-4-yl)-N-(2-ethylphenyl)-2-oxoacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.325098
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -2.073694
• LogD (pH = 7.4): -0.5825829
• Log P: 0.9510814
• Molar Refractivity: 94.4069 cm^3
• Polarizability: 36.239338 Å^3
• Polar Surface Area: 79.9 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.37
• LOG S: -2.05
• Polar Surface Area: 79.9 Å^2
• Rotatable Bonds: 3