benzyl 8-(2-methoxyethyl)-9-oxo-2,8-diazaspiro[5.5]undecane-2-carboxylate

• ChemBase ID: 381090
• Molecular Formular: C20H28N2O4
• Molecular Mass: 360.44732
• Monoisotopic Mass: 360.20490739
• SMILES: N1(C(=O)OCc2ccccc2)CC2(CN(C(=O)CC2)CCOC)CCC1
• Canonical SMILES: COCCN1CC2(CCCN(C2)C(=O)OCc2ccccc2)CCC1=O
• InChI: InChI=1S/C20H28N2O4/c1-25-13-12-21-15-20(10-8-18(21)23)9-5-11-22(16-20)19(24)26-14-17-6-3-2-4-7-17/h2-4,6-7H,5,8-16H2,1H3
• InChIKey: JDQRXNHJLHXWPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl 8-(2-methoxyethyl)-9-oxo-2,8-diazaspiro[5.5]undecane-2-carboxylate
• IUPAC Traditional name: benzyl 8-(2-methoxyethyl)-9-oxo-2,8-diazaspiro[5.5]undecane-2-carboxylate
• Synonyms: benzyl 8-(2-methoxyethyl)-9-oxo-2,8-diazaspiro[5.5]undecane-2-carboxylate

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7543032
• LogD (pH = 7.4): 1.7543033
• Log P: 1.7543033
• Molar Refractivity: 98.5471 cm^3
• Polarizability: 38.465393 Å^3
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.01
• LOG S: -3.54
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 6