6-[5-(methoxymethyl)furan-2-carbonyl]-N-(3-phenylpropyl)-6-azaspiro[2.5]octane-1-carboxamide

• ChemBase ID: 332822
• Molecular Formular: C24H30N2O4
• Molecular Mass: 410.506
• Monoisotopic Mass: 410.22055745
• SMILES: C12(C(C1)C(=O)NCCCc1ccccc1)CCN(C(=O)c1oc(cc1)COC)CC2
• Canonical SMILES: COCc1ccc(o1)C(=O)N1CCC2(CC1)CC2C(=O)NCCCc1ccccc1
• InChI: InChI=1S/C24H30N2O4/c1-29-17-19-9-10-21(30-19)23(28)26-14-11-24(12-15-26)16-20(24)22(27)25-13-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-10,20H,5,8,11-17H2,1H3,(H,25,27)
• InChIKey: MDVZGETYJRLOJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[5-(methoxymethyl)furan-2-carbonyl]-N-(3-phenylpropyl)-6-azaspiro[2.5]octane-1-carboxamide
• IUPAC Traditional name: 6-[5-(methoxymethyl)furan-2-carbonyl]-N-(3-phenylpropyl)-6-azaspiro[2.5]octane-1-carboxamide
• Synonyms: 6-[5-(methoxymethyl)-2-furoyl]-N-(3-phenylpropyl)-6-azaspiro[2.5]octane-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.230585
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.1981497
• LogD (pH = 7.4): 2.1981502
• Log P: 2.1981502
• Molar Refractivity: 115.0562 cm^3
• Polarizability: 44.015343 Å^3
• Polar Surface Area: 71.78 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.14
• LOG S: -5.54
• Polar Surface Area: 71.78 Å^2
• Rotatable Bonds: 7