2-(oxane-4-carbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decane

• ChemBase ID: 371015
• Molecular Formular: C23H34N2O2
• Molecular Mass: 370.52826
• Monoisotopic Mass: 370.26202834
• SMILES: N1(C(=O)C2CCOCC2)CC2(CN(CCCc3ccccc3)CCC2)CC1
• Canonical SMILES: O=C(N1CCC2(C1)CCCN(C2)CCCc1ccccc1)C1CCOCC1
• InChI: InChI=1S/C23H34N2O2/c26-22(21-9-16-27-17-10-21)25-15-12-23(19-25)11-5-14-24(18-23)13-4-8-20-6-2-1-3-7-20/h1-3,6-7,21H,4-5,8-19H2
• InChIKey: PVBVAFNPRDAWFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(oxane-4-carbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 2-(oxane-4-carbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decane
• Synonyms: 7-(3-phenylpropyl)-2-(tetrahydro-2H-pyran-4-ylcarbonyl)-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.5248124
• LogD (pH = 7.4): 0.80781955
• Log P: 2.843555
• Molar Refractivity: 109.7602 cm^3
• Polarizability: 42.805447 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: 1.98
• LOG S: -2.98
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 5