2-(furan-3-ylmethyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 840148
• Molecular Formular: C16H24N2O3
• Molecular Mass: 292.37336
• Monoisotopic Mass: 292.17869264
• SMILES: C12(C(=O)N(CCC2)CCOC)CN(Cc2cocc2)CC1
• Canonical SMILES: COCCN1CCCC2(C1=O)CCN(C2)Cc1ccoc1
• InChI: InChI=1S/C16H24N2O3/c1-20-10-8-18-6-2-4-16(15(18)19)5-7-17(13-16)11-14-3-9-21-12-14/h3,9,12H,2,4-8,10-11,13H2,1H3
• InChIKey: GWSDUQJXXPFGRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(furan-3-ylmethyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-(furan-3-ylmethyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-(3-furylmethyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.297741
• LogD (pH = 7.4): -0.7653458
• Log P: 0.95982164
• Molar Refractivity: 80.7705 cm^3
• Polarizability: 31.270485 Å^3
• Polar Surface Area: 45.92 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.5
• LOG S: -0.02
• Polar Surface Area: 45.92 Å^2
• Rotatable Bonds: 4