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

• ChemBase ID: 374173
• Molecular Formular: C20H30N2O2
• Molecular Mass: 330.4644
• Monoisotopic Mass: 330.23072821
• SMILES: N1(C(=O)CCC2(C1)CN(Cc1oc(cc1)CCC)CCC2)C1CC1
• Canonical SMILES: CCCc1ccc(o1)CN1CCCC2(C1)CCC(=O)N(C2)C1CC1
• InChI: InChI=1S/C20H30N2O2/c1-2-4-17-7-8-18(24-17)13-21-12-3-10-20(14-21)11-9-19(23)22(15-20)16-5-6-16/h7-8,16H,2-6,9-15H2,1H3
• InChIKey: MZKVXLHTGHQQOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.17988299
• LogD (pH = 7.4): 1.5800997
• Log P: 2.647557
• Molar Refractivity: 95.4856 cm^3
• Polarizability: 37.125095 Å^3
• Polar Surface Area: 36.69 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: 3.13
• LOG S: -4.28
• Polar Surface Area: 36.69 Å^2
• Rotatable Bonds: 5