2-[3-(furan-2-yl)propanoyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 715880
• Molecular Formular: C18H26N2O4
• Molecular Mass: 334.41004
• Monoisotopic Mass: 334.18925732
• SMILES: C12(C(=O)N(CCC2)CCOC)CN(C(=O)CCc2occc2)CC1
• Canonical SMILES: COCCN1CCCC2(C1=O)CCN(C2)C(=O)CCc1ccco1
• InChI: InChI=1S/C18H26N2O4/c1-23-13-11-19-9-3-7-18(17(19)22)8-10-20(14-18)16(21)6-5-15-4-2-12-24-15/h2,4,12H,3,5-11,13-14H2,1H3
• InChIKey: CTXHUKZLDYWUDZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[3-(furan-2-yl)propanoyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-[3-(furan-2-yl)propanoyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-[3-(2-furyl)propanoyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.5052446
• LogD (pH = 7.4): 0.50524503
• Log P: 0.50524503
• Molar Refractivity: 89.7835 cm^3
• Polarizability: 34.667828 Å^3
• Polar Surface Area: 62.99 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.19
• LOG S: -2.65
• Polar Surface Area: 62.99 Å^2
• Rotatable Bonds: 6