N-(1-benzofuran-5-yl)-2-oxo-1-oxa-3,8-diazaspiro[4.6]undecane-8-carboxamide

• ChemBase ID: 358939
• Molecular Formular: C17H19N3O4
• Molecular Mass: 329.35046
• Monoisotopic Mass: 329.1375561
• SMILES: C(=O)(N1CCC2(OC(=O)NC2)CCC1)Nc1cc2c(occ2)cc1
• Canonical SMILES: O=C1NCC2(O1)CCCN(CC2)C(=O)Nc1ccc2c(c1)cco2
• InChI: InChI=1S/C17H19N3O4/c21-15(19-13-2-3-14-12(10-13)4-9-23-14)20-7-1-5-17(6-8-20)11-18-16(22)24-17/h2-4,9-10H,1,5-8,11H2,(H,18,22)(H,19,21)
• InChIKey: OHFUKVYNEJWDRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-benzofuran-5-yl)-2-oxo-1-oxa-3,8-diazaspiro[4.6]undecane-8-carboxamide
• IUPAC Traditional name: N-(1-benzofuran-5-yl)-2-oxo-1-oxa-3,8-diazaspiro[4.6]undecane-8-carboxamide
• Synonyms: N-1-benzofuran-5-yl-2-oxo-1-oxa-3,8-diazaspiro[4.6]undecane-8-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.713
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.4028081
• LogD (pH = 7.4): 1.4028063
• Log P: 1.4028082
• Molar Refractivity: 87.2466 cm^3
• Polarizability: 34.07598 Å^3
• Polar Surface Area: 83.81 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.76
• LOG S: -3.1
• Polar Surface Area: 83.81 Å^2
• Rotatable Bonds: 1