8-[5-(3-methoxyphenyl)furan-2-carbonyl]-1-oxa-8-azaspiro[4.5]decane

• ChemBase ID: 314388
• Molecular Formular: C20H23NO4
• Molecular Mass: 341.40092
• Monoisotopic Mass: 341.16270822
• SMILES: c1(C(=O)N2CCC3(OCCC3)CC2)oc(cc1)c1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)c1ccc(o1)C(=O)N1CCC2(CC1)CCCO2
• InChI: InChI=1S/C20H23NO4/c1-23-16-5-2-4-15(14-16)17-6-7-18(25-17)19(22)21-11-9-20(10-12-21)8-3-13-24-20/h2,4-7,14H,3,8-13H2,1H3
• InChIKey: CBNNXBDWNQRRCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[5-(3-methoxyphenyl)furan-2-carbonyl]-1-oxa-8-azaspiro[4.5]decane
• IUPAC Traditional name: 8-[5-(3-methoxyphenyl)furan-2-carbonyl]-1-oxa-8-azaspiro[4.5]decane
• Synonyms: 8-[5-(3-methoxyphenyl)-2-furoyl]-1-oxa-8-azaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.0317924
• LogD (pH = 7.4): 2.0317924
• Log P: 2.0317924
• Molar Refractivity: 94.7037 cm^3
• Polarizability: 37.46759 Å^3
• Polar Surface Area: 51.91 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.7
• LOG S: -4.0
• Polar Surface Area: 51.91 Å^2
• Rotatable Bonds: 3