N-ethyl-3-{6-oxa-9-azaspiro[4.5]decan-9-yl}-N-phenylpropanamide

• ChemBase ID: 548811
• Molecular Formular: C19H28N2O2
• Molecular Mass: 316.43782
• Monoisotopic Mass: 316.21507815
• SMILES: C(=O)(N(c1ccccc1)CC)CCN1CC2(OCC1)CCCC2
• Canonical SMILES: CCN(c1ccccc1)C(=O)CCN1CCOC2(C1)CCCC2
• InChI: InChI=1S/C19H28N2O2/c1-2-21(17-8-4-3-5-9-17)18(22)10-13-20-14-15-23-19(16-20)11-6-7-12-19/h3-5,8-9H,2,6-7,10-16H2,1H3
• InChIKey: FGQHFOCULMZTAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-3-{6-oxa-9-azaspiro[4.5]decan-9-yl}-N-phenylpropanamide
• IUPAC Traditional name: N-ethyl-3-{6-oxa-9-azaspiro[4.5]decan-9-yl}-N-phenylpropanamide
• Synonyms: N-ethyl-3-(6-oxa-9-azaspiro[4.5]dec-9-yl)-N-phenylpropanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.849108
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.18137987
• LogD (pH = 7.4): 1.9420346
• Log P: 2.6203115
• Molar Refractivity: 92.2912 cm^3
• Polarizability: 36.22787 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.58
• LOG S: -4.57
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 5