N-(furan-2-ylmethyl)-2-(3-methoxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide

• ChemBase ID: 655731
• Molecular Formular: C19H29N3O4
• Molecular Mass: 363.45126
• Monoisotopic Mass: 363.21580642
• SMILES: C(=O)(N1CCC2(CN(C(=O)CC2)CCCOC)CC1)NCc1occc1
• Canonical SMILES: COCCCN1CC2(CCN(CC2)C(=O)NCc2ccco2)CCC1=O
• InChI: InChI=1S/C19H29N3O4/c1-25-12-3-9-22-15-19(6-5-17(22)23)7-10-21(11-8-19)18(24)20-14-16-4-2-13-26-16/h2,4,13H,3,5-12,14-15H2,1H3,(H,20,24)
• InChIKey: XTJOSUNHPSPAPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(furan-2-ylmethyl)-2-(3-methoxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide
• IUPAC Traditional name: N-(furan-2-ylmethyl)-2-(3-methoxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide
• Synonyms: N-(2-furylmethyl)-2-(3-methoxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.638185
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.0105586685
• LogD (pH = 7.4): -0.0105583565
• Log P: -0.01055833
• Molar Refractivity: 97.9072 cm^3
• Polarizability: 37.651535 Å^3
• Polar Surface Area: 75.02 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: 0.84
• LOG S: -2.57
• Polar Surface Area: 75.02 Å^2
• Rotatable Bonds: 6