2-(3-{5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl}phenoxy)acetamide

• ChemBase ID: 845221
• Molecular Formular: C18H24N2O5
• Molecular Mass: 348.39356
• Monoisotopic Mass: 348.16852188
• SMILES: C(=O)(N1CCC2(CC1)OCCCC2O)c1cc(OCC(=O)N)ccc1
• Canonical SMILES: NC(=O)COc1cccc(c1)C(=O)N1CCC2(CC1)OCCCC2O
• InChI: InChI=1S/C18H24N2O5/c19-16(22)12-24-14-4-1-3-13(11-14)17(23)20-8-6-18(7-9-20)15(21)5-2-10-25-18/h1,3-4,11,15,21H,2,5-10,12H2,(H2,19,22)
• InChIKey: BPEVCBQSFLWNQJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-{5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl}phenoxy)acetamide
• IUPAC Traditional name: 2-(3-{5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl}phenoxy)acetamide
• Synonyms: 2-{3-[(5-hydroxy-1-oxa-9-azaspiro[5.5]undec-9-yl)carbonyl]phenoxy}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.954898
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.5549751
• LogD (pH = 7.4): -0.5549751
• Log P: -0.554975
• Molar Refractivity: 91.1684 cm^3
• Polarizability: 35.22395 Å^3
• Polar Surface Area: 102.09 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -0.2
• LOG S: -2.88
• Polar Surface Area: 102.09 Å^2
• Rotatable Bonds: 4