N-(3-ethylphenyl)-2-azaspiro[4.4]nonane-2-carboxamide

• ChemBase ID: 504214
• Molecular Formular: C17H24N2O
• Molecular Mass: 272.38526
• Monoisotopic Mass: 272.1888634
• SMILES: C(=O)(N1CC2(CC1)CCCC2)Nc1cc(ccc1)CC
• Canonical SMILES: CCc1cccc(c1)NC(=O)N1CCC2(C1)CCCC2
• InChI: InChI=1S/C17H24N2O/c1-2-14-6-5-7-15(12-14)18-16(20)19-11-10-17(13-19)8-3-4-9-17/h5-7,12H,2-4,8-11,13H2,1H3,(H,18,20)
• InChIKey: BGHUAXNEFDVQJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-ethylphenyl)-2-azaspiro[4.4]nonane-2-carboxamide
• IUPAC Traditional name: N-(3-ethylphenyl)-2-azaspiro[4.4]nonane-2-carboxamide
• Synonyms: N-(3-ethylphenyl)-2-azaspiro[4.4]nonane-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.416943
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.8569355
• LogD (pH = 7.4): 3.856935
• Log P: 3.8569355
• Molar Refractivity: 82.8438 cm^3
• Polarizability: 31.384912 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 1
• H Donor: 1
• Log P: 3.85
• LOG S: -4.47
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 2