N-(furan-2-ylmethyl)-5-methoxy-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide

• ChemBase ID: 473963
• Molecular Formular: C16H24N2O4
• Molecular Mass: 308.37276
• Monoisotopic Mass: 308.17360726
• SMILES: C(=O)(N1CCC2(CC1)OCCCC2OC)NCc1occc1
• Canonical SMILES: COC1CCCOC21CCN(CC2)C(=O)NCc1ccco1
• InChI: InChI=1S/C16H24N2O4/c1-20-14-5-3-11-22-16(14)6-8-18(9-7-16)15(19)17-12-13-4-2-10-21-13/h2,4,10,14H,3,5-9,11-12H2,1H3,(H,17,19)
• InChIKey: OESJQOPJTFLBME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(furan-2-ylmethyl)-5-methoxy-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
• IUPAC Traditional name: N-(furan-2-ylmethyl)-5-methoxy-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
• Synonyms: N-(2-furylmethyl)-5-methoxy-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.633483
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.3954579
• LogD (pH = 7.4): 0.39545792
• Log P: 0.39545792
• Molar Refractivity: 81.456 cm^3
• Polarizability: 31.612804 Å^3
• Polar Surface Area: 63.94 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.28
• LOG S: -2.54
• Polar Surface Area: 63.94 Å^2
• Rotatable Bonds: 3