4-ethenyl-N-{[8-(furan-3-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl}benzamide

• ChemBase ID: 323403
• Molecular Formular: C23H26N2O4
• Molecular Mass: 394.46354
• Monoisotopic Mass: 394.18925732
• SMILES: C(=O)(c1cocc1)N1CCC2(OC(CNC(=O)c3ccc(C=C)cc3)CC2)CC1
• Canonical SMILES: C=Cc1ccc(cc1)C(=O)NCC1CCC2(O1)CCN(CC2)C(=O)c1cocc1
• InChI: InChI=1S/C23H26N2O4/c1-2-17-3-5-18(6-4-17)21(26)24-15-20-7-9-23(29-20)10-12-25(13-11-23)22(27)19-8-14-28-16-19/h2-6,8,14,16,20H,1,7,9-13,15H2,(H,24,26)
• InChIKey: KFIZATZQEGCUON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethenyl-N-{[8-(furan-3-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl}benzamide
• IUPAC Traditional name: 4-ethenyl-N-{[8-(furan-3-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl}benzamide
• Synonyms: N-{[8-(3-furoyl)-1-oxa-8-azaspiro[4.5]dec-2-yl]methyl}-4-vinylbenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.990229
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.3747423
• LogD (pH = 7.4): 2.3747425
• Log P: 2.3747425
• Molar Refractivity: 110.7699 cm^3
• Polarizability: 41.791405 Å^3
• Polar Surface Area: 71.78 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.83
• LOG S: -6.09
• Polar Surface Area: 71.78 Å^2
• Rotatable Bonds: 5