N-[2-(furan-2-yl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide

• ChemBase ID: 361723
• Molecular Formular: C19H31N3O2
• Molecular Mass: 333.46834
• Monoisotopic Mass: 333.24162725
• SMILES: N1(C(C(=O)NCCc2occc2)CC2(C1)CCN(CC2)C)CCC
• Canonical SMILES: CCCN1CC2(CC1C(=O)NCCc1ccco1)CCN(CC2)C
• InChI: InChI=1S/C19H31N3O2/c1-3-10-22-15-19(7-11-21(2)12-8-19)14-17(22)18(23)20-9-6-16-5-4-13-24-16/h4-5,13,17H,3,6-12,14-15H2,1-2H3,(H,20,23)
• InChIKey: OSIIWGVFNYBFMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(furan-2-yl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
• IUPAC Traditional name: N-[2-(furan-2-yl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
• Synonyms: N-[2-(2-furyl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.413071
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.0416813
• LogD (pH = 7.4): -2.422823
• Log P: 1.4127272
• Molar Refractivity: 96.614 cm^3
• Polarizability: 37.617516 Å^3
• Polar Surface Area: 48.72 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.81
• LOG S: -3.18
• Polar Surface Area: 48.72 Å^2
• Rotatable Bonds: 6