N-(3-fluorophenyl)-2-(3-methoxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide

• ChemBase ID: 610960
• Molecular Formular: C20H28FN3O3
• Molecular Mass: 377.4530232
• Monoisotopic Mass: 377.21146999
• SMILES: C(=O)(N1CCC2(CN(C(=O)CC2)CCCOC)CC1)Nc1cc(F)ccc1
• Canonical SMILES: COCCCN1CC2(CCN(CC2)C(=O)Nc2cccc(c2)F)CCC1=O
• InChI: InChI=1S/C20H28FN3O3/c1-27-13-3-10-24-15-20(7-6-18(24)25)8-11-23(12-9-20)19(26)22-17-5-2-4-16(21)14-17/h2,4-5,14H,3,6-13,15H2,1H3,(H,22,26)
• InChIKey: CVZAEDBYUYOGCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-fluorophenyl)-2-(3-methoxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide
• IUPAC Traditional name: N-(3-fluorophenyl)-2-(3-methoxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide
• Synonyms: N-(3-fluorophenyl)-2-(3-methoxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.875883
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.364992
• LogD (pH = 7.4): 1.364991
• Log P: 1.3649923
• Molar Refractivity: 102.6785 cm^3
• Polarizability: 38.595528 Å^3
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.73
• LOG S: -3.43
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 5