N-(furan-2-ylmethyl)-2-[7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]acetamide

• ChemBase ID: 579603
• Molecular Formular: C18H27N3O4
• Molecular Mass: 349.42468
• Monoisotopic Mass: 349.20015636
• SMILES: C12(C(=O)N(CCC2)CCOC)CN(CC(=O)NCc2occc2)CC1
• Canonical SMILES: COCCN1CCCC2(C1=O)CCN(C2)CC(=O)NCc1ccco1
• InChI: InChI=1S/C18H27N3O4/c1-24-11-9-21-7-3-5-18(17(21)23)6-8-20(14-18)13-16(22)19-12-15-4-2-10-25-15/h2,4,10H,3,5-9,11-14H2,1H3,(H,19,22)
• InChIKey: LDMUSHUWUABTGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(furan-2-ylmethyl)-2-[7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]acetamide
• IUPAC Traditional name: N-(furan-2-ylmethyl)-2-[7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]acetamide
• Synonyms: N-(2-furylmethyl)-2-[7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]dec-2-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.2399
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.6302936
• LogD (pH = 7.4): -0.874551
• Log P: -0.22546048
• Molar Refractivity: 93.4515 cm^3
• Polarizability: 36.19573 Å^3
• Polar Surface Area: 75.02 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.64
• LOG S: -2.29
• Polar Surface Area: 75.02 Å^2
• Rotatable Bonds: 7