N-(3-fluorophenyl)-6-(2-methylbutyl)-6-azaspiro[2.5]octane-1-carboxamide

• ChemBase ID: 343794
• Molecular Formular: C19H27FN2O
• Molecular Mass: 318.4288832
• Monoisotopic Mass: 318.21074171
• SMILES: C12(C(C1)C(=O)Nc1cc(F)ccc1)CCN(CC2)CC(CC)C
• Canonical SMILES: CCC(CN1CCC2(CC1)CC2C(=O)Nc1cccc(c1)F)C
• InChI: InChI=1S/C19H27FN2O/c1-3-14(2)13-22-9-7-19(8-10-22)12-17(19)18(23)21-16-6-4-5-15(20)11-16/h4-6,11,14,17H,3,7-10,12-13H2,1-2H3,(H,21,23)
• InChIKey: ANYJBAZROMFFPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-fluorophenyl)-6-(2-methylbutyl)-6-azaspiro[2.5]octane-1-carboxamide
• IUPAC Traditional name: N-(3-fluorophenyl)-6-(2-methylbutyl)-6-azaspiro[2.5]octane-1-carboxamide
• Synonyms: N-(3-fluorophenyl)-6-(2-methylbutyl)-6-azaspiro[2.5]octane-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.476425
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.20230803
• LogD (pH = 7.4): 1.1888993
• Log P: 3.652496
• Molar Refractivity: 92.4304 cm^3
• Polarizability: 35.183285 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.94
• LOG S: -4.03
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 4