8-cyclopropyl-N-(2-ethoxyphenyl)-9-oxo-2,8-diazaspiro[5.5]undecane-2-carboxamide

• ChemBase ID: 776054
• Molecular Formular: C21H29N3O3
• Molecular Mass: 371.47326
• Monoisotopic Mass: 371.2208918
• SMILES: N1(C(=O)CCC2(C1)CN(C(=O)Nc1c(OCC)cccc1)CCC2)C1CC1
• Canonical SMILES: CCOc1ccccc1NC(=O)N1CCCC2(C1)CCC(=O)N(C2)C1CC1
• InChI: InChI=1S/C21H29N3O3/c1-2-27-18-7-4-3-6-17(18)22-20(26)23-13-5-11-21(14-23)12-10-19(25)24(15-21)16-8-9-16/h3-4,6-7,16H,2,5,8-15H2,1H3,(H,22,26)
• InChIKey: BDDAWQYWCAFTAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.87647
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.0299144
• LogD (pH = 7.4): 2.029901
• Log P: 2.0299149
• Molar Refractivity: 104.8222 cm^3
• Polarizability: 39.993073 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: 2.03
• LOG S: -3.64
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 4