N-(2-chlorophenyl)-8-(2-methoxyethyl)-9-oxo-2,8-diazaspiro[5.5]undecane-2-carboxamide

• ChemBase ID: 415886
• Molecular Formular: C19H26ClN3O3
• Molecular Mass: 379.88104
• Monoisotopic Mass: 379.16626939
• SMILES: C(=O)(N1CC2(CN(C(=O)CC2)CCOC)CCC1)Nc1c(Cl)cccc1
• Canonical SMILES: COCCN1CC2(CCCN(C2)C(=O)Nc2ccccc2Cl)CCC1=O
• InChI: InChI=1S/C19H26ClN3O3/c1-26-12-11-22-13-19(9-7-17(22)24)8-4-10-23(14-19)18(25)21-16-6-3-2-5-15(16)20/h2-3,5-6H,4,7-14H2,1H3,(H,21,25)
• InChIKey: KAIYUWJNXMOVMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.067233
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.9222825
• LogD (pH = 7.4): 1.9222739
• Log P: 1.9222827
• Molar Refractivity: 102.2475 cm^3
• Polarizability: 38.966732 Å^3
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.75
• LOG S: -3.46
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 4