2-{3-oxa-9-azaspiro[5.5]undecan-9-yl}-2-oxo-N-propylacetamide

• ChemBase ID: 636215
• Molecular Formular: C14H24N2O3
• Molecular Mass: 268.35196
• Monoisotopic Mass: 268.17869264
• SMILES: C(=O)(N1CCC2(CC1)CCOCC2)C(=O)NCCC
• Canonical SMILES: CCCNC(=O)C(=O)N1CCC2(CC1)CCOCC2
• InChI: InChI=1S/C14H24N2O3/c1-2-7-15-12(17)13(18)16-8-3-14(4-9-16)5-10-19-11-6-14/h2-11H2,1H3,(H,15,17)
• InChIKey: DLTUMYVLPBZBPD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{3-oxa-9-azaspiro[5.5]undecan-9-yl}-2-oxo-N-propylacetamide
• IUPAC Traditional name: 2-{3-oxa-9-azaspiro[5.5]undecan-9-yl}-2-oxo-N-propylacetamide
• Synonyms: 2-(3-oxa-9-azaspiro[5.5]undec-9-yl)-2-oxo-N-propylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.553892
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.28763777
• LogD (pH = 7.4): 0.2876375
• Log P: 0.28763777
• Molar Refractivity: 72.7607 cm^3
• Polarizability: 28.19876 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.08
• LOG S: -2.54
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 3