2-(2-methoxyethyl)-8-[(5-propylfuran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 698506
• Molecular Formular: C20H32N2O3
• Molecular Mass: 348.47968
• Monoisotopic Mass: 348.24129289
• SMILES: N1(C(=O)CCC2(C1)CN(Cc1oc(cc1)CCC)CCC2)CCOC
• Canonical SMILES: CCCc1ccc(o1)CN1CCCC2(C1)CCC(=O)N(C2)CCOC
• InChI: InChI=1S/C20H32N2O3/c1-3-5-17-6-7-18(25-17)14-21-11-4-9-20(15-21)10-8-19(23)22(16-20)12-13-24-2/h6-7H,3-5,8-16H2,1-2H3
• InChIKey: GTYSRZFDKYIDLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxyethyl)-8-[(5-propylfuran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 2-(2-methoxyethyl)-8-[(5-propylfuran-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
• Synonyms: 2-(2-methoxyethyl)-8-[(5-propyl-2-furyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.7276735
• LogD (pH = 7.4): 1.0261197
• Log P: 2.135017
• Molar Refractivity: 99.3179 cm^3
• Polarizability: 38.549435 Å^3
• Polar Surface Area: 45.92 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.77
• LOG S: -4.11
• Polar Surface Area: 45.92 Å^2
• Rotatable Bonds: 7