2-(3-{7-ethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl}phenoxy)acetamide

• ChemBase ID: 585070
• Molecular Formular: C19H25N3O4
• Molecular Mass: 359.4195
• Monoisotopic Mass: 359.1845063
• SMILES: C12(C(=O)N(CCC2)CC)CN(C(=O)c2cc(OCC(=O)N)ccc2)CC1
• Canonical SMILES: CCN1CCCC2(C1=O)CCN(C2)C(=O)c1cccc(c1)OCC(=O)N
• InChI: InChI=1S/C19H25N3O4/c1-2-21-9-4-7-19(18(21)25)8-10-22(13-19)17(24)14-5-3-6-15(11-14)26-12-16(20)23/h3,5-6,11H,2,4,7-10,12-13H2,1H3,(H2,20,23)
• InChIKey: YANPHLOJAPJEME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-{7-ethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl}phenoxy)acetamide
• IUPAC Traditional name: 2-(3-{7-ethyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl}phenoxy)acetamide
• Synonyms: 2-{3-[(7-ethyl-6-oxo-2,7-diazaspiro[4.5]dec-2-yl)carbonyl]phenoxy}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.112043
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.09332421
• LogD (pH = 7.4): 0.09332467
• Log P: 0.09332467
• Molar Refractivity: 96.6613 cm^3
• Polarizability: 36.941246 Å^3
• Polar Surface Area: 92.94 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.23
• LOG S: -3.33
• Polar Surface Area: 92.94 Å^2
• Rotatable Bonds: 5