2-oxo-N-[2-(pyridin-3-yloxy)phenyl]-1-oxa-3,8-diazaspiro[4.6]undecane-8-carboxamide

• ChemBase ID: 484255
• Molecular Formular: C20H22N4O4
• Molecular Mass: 382.41308
• Monoisotopic Mass: 382.1641052
• SMILES: C(=O)(N1CCC2(OC(=O)NC2)CCC1)Nc1c(Oc2cnccc2)cccc1
• Canonical SMILES: O=C1NCC2(O1)CCCN(CC2)C(=O)Nc1ccccc1Oc1cccnc1
• InChI: InChI=1S/C20H22N4O4/c25-18(24-11-4-8-20(9-12-24)14-22-19(26)28-20)23-16-6-1-2-7-17(16)27-15-5-3-10-21-13-15/h1-3,5-7,10,13H,4,8-9,11-12,14H2,(H,22,26)(H,23,25)
• InChIKey: SZULWSSJCXWSPJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-oxo-N-[2-(pyridin-3-yloxy)phenyl]-1-oxa-3,8-diazaspiro[4.6]undecane-8-carboxamide
• IUPAC Traditional name: 2-oxo-N-[2-(pyridin-3-yloxy)phenyl]-1-oxa-3,8-diazaspiro[4.6]undecane-8-carboxamide
• Synonyms: 2-oxo-N-[2-(pyridin-3-yloxy)phenyl]-1-oxa-3,8-diazaspiro[4.6]undecane-8-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.704373
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.4798183
• LogD (pH = 7.4): 1.525654
• Log P: 1.5262995
• Molar Refractivity: 102.4894 cm^3
• Polarizability: 39.14861 Å^3
• Polar Surface Area: 92.79 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: 2.22
• LOG S: -3.88
• Polar Surface Area: 92.79 Å^2
• Rotatable Bonds: 3