N-(furan-2-ylmethyl)-6-oxo-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decane-2-carboxamide

• ChemBase ID: 681319
• Molecular Formular: C23H29N3O3
• Molecular Mass: 395.49466
• Monoisotopic Mass: 395.2208918
• SMILES: C12(C(=O)N(CCCc3ccccc3)CCC2)CN(C(=O)NCc2occc2)CC1
• Canonical SMILES: O=C(N1CCC2(C1)CCCN(C2=O)CCCc1ccccc1)NCc1ccco1
• InChI: InChI=1S/C23H29N3O3/c27-21-23(11-6-14-25(21)13-4-9-19-7-2-1-3-8-19)12-15-26(18-23)22(28)24-17-20-10-5-16-29-20/h1-3,5,7-8,10,16H,4,6,9,11-15,17-18H2,(H,24,28)
• InChIKey: KPWBLJNJHDIPGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(furan-2-ylmethyl)-6-oxo-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decane-2-carboxamide
• IUPAC Traditional name: N-(furan-2-ylmethyl)-6-oxo-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decane-2-carboxamide
• Synonyms: N-(2-furylmethyl)-6-oxo-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decane-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.659362
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.5015254
• LogD (pH = 7.4): 2.501526
• Log P: 2.501526
• Molar Refractivity: 111.4177 cm^3
• Polarizability: 42.824005 Å^3
• Polar Surface Area: 65.79 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.9
• LOG S: -5.39
• Polar Surface Area: 65.79 Å^2
• Rotatable Bonds: 6