N-[4-(furan-2-ylmethoxy)phenyl]-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide

• ChemBase ID: 755136
• Molecular Formular: C21H25N3O4
• Molecular Mass: 383.4409
• Monoisotopic Mass: 383.1845063
• SMILES: C12(C(=O)N(CCC2)C)CN(C(=O)Nc2ccc(OCc3occc3)cc2)CC1
• Canonical SMILES: O=C(N1CCC2(C1)CCCN(C2=O)C)Nc1ccc(cc1)OCc1ccco1
• InChI: InChI=1S/C21H25N3O4/c1-23-11-3-9-21(19(23)25)10-12-24(15-21)20(26)22-16-5-7-17(8-6-16)28-14-18-4-2-13-27-18/h2,4-8,13H,3,9-12,14-15H2,1H3,(H,22,26)
• InChIKey: IUSJAFWDXHQYHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(furan-2-ylmethoxy)phenyl]-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
• IUPAC Traditional name: N-[4-(furan-2-ylmethoxy)phenyl]-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
• Synonyms: N-[4-(2-furylmethoxy)phenyl]-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.007789
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.9037201
• LogD (pH = 7.4): 1.9037203
• Log P: 1.9037203
• Molar Refractivity: 105.4707 cm^3
• Polarizability: 39.8293 Å^3
• Polar Surface Area: 75.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.64
• LOG S: -3.4
• Polar Surface Area: 75.02 Å^2
• Rotatable Bonds: 4