N-[2-(4-fluorophenoxy)phenyl]-2-oxo-1,3-dioxa-8-azaspiro[4.5]decane-8-carboxamide

• ChemBase ID: 510732
• Molecular Formular: C20H19FN2O5
• Molecular Mass: 386.3736632
• Monoisotopic Mass: 386.12779994
• SMILES: C(=O)(N1CCC2(OC(=O)OC2)CC1)Nc1c(Oc2ccc(F)cc2)cccc1
• Canonical SMILES: O=C1OCC2(O1)CCN(CC2)C(=O)Nc1ccccc1Oc1ccc(cc1)F
• InChI: InChI=1S/C20H19FN2O5/c21-14-5-7-15(8-6-14)27-17-4-2-1-3-16(17)22-18(24)23-11-9-20(10-12-23)13-26-19(25)28-20/h1-8H,9-13H2,(H,22,24)
• InChIKey: YHYXYYJGJCEKMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4-fluorophenoxy)phenyl]-2-oxo-1,3-dioxa-8-azaspiro[4.5]decane-8-carboxamide
• IUPAC Traditional name: N-[2-(4-fluorophenoxy)phenyl]-2-oxo-1,3-dioxa-8-azaspiro[4.5]decane-8-carboxamide
• Synonyms: N-[2-(4-fluorophenoxy)phenyl]-2-oxo-1,3-dioxa-8-azaspiro[4.5]decane-8-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.763958
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.0984716
• LogD (pH = 7.4): 3.098454
• Log P: 3.0984719
• Molar Refractivity: 98.2683 cm^3
• Polarizability: 37.48308 Å^3
• Polar Surface Area: 77.1 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.9
• LOG S: -4.49
• Polar Surface Area: 77.1 Å^2
• Rotatable Bonds: 3