3-ethyl-8-(oxolan-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 620274
• Molecular Formular: C14H24N2O3
• Molecular Mass: 268.35196
• Monoisotopic Mass: 268.17869264
• SMILES: C1(=O)N(CC2(O1)CCN(CC1OCCC1)CC2)CC
• Canonical SMILES: CCN1CC2(OC1=O)CCN(CC2)CC1CCCO1
• InChI: InChI=1S/C14H24N2O3/c1-2-16-11-14(19-13(16)17)5-7-15(8-6-14)10-12-4-3-9-18-12/h12H,2-11H2,1H3
• InChIKey: UPFSYWZNODUCLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethyl-8-(oxolan-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 3-ethyl-8-(oxolan-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• Synonyms: 3-ethyl-8-(tetrahydrofuran-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.3503947
• LogD (pH = 7.4): -0.6154201
• Log P: 0.59080184
• Molar Refractivity: 72.2579 cm^3
• Polarizability: 28.471895 Å^3
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.1
• LOG S: -1.09
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 3