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

• ChemBase ID: 484137
• Molecular Formular: C18H25N3O3
• Molecular Mass: 331.4094
• Monoisotopic Mass: 331.18959168
• SMILES: C12(C(=O)N(CC3CC3)CCC2)CN(C(=O)NCc2occc2)CC1
• Canonical SMILES: O=C(N1CCC2(C1)CCCN(C2=O)CC1CC1)NCc1ccco1
• InChI: InChI=1S/C18H25N3O3/c22-16-18(6-2-8-20(16)12-14-4-5-14)7-9-21(13-18)17(23)19-11-15-3-1-10-24-15/h1,3,10,14H,2,4-9,11-13H2,(H,19,23)
• InChIKey: ISDAPSXHWZJZBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.683105
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.82439905
• LogD (pH = 7.4): 0.82440037
• Log P: 0.8244004
• Molar Refractivity: 89.3911 cm^3
• Polarizability: 34.377415 Å^3
• Polar Surface Area: 65.79 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.38
• LOG S: -2.79
• Polar Surface Area: 65.79 Å^2
• Rotatable Bonds: 4