3-{2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl}-8-(furan-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 343703
• Molecular Formular: C20H30N4O4
• Molecular Mass: 390.4766
• Monoisotopic Mass: 390.22670546
• SMILES: C1(=O)N(CC2(O1)CCN(C(=O)c1cocc1)CC2)CCN1CC(CC1)N(C)C
• Canonical SMILES: CN(C1CCN(C1)CCN1CC2(OC1=O)CCN(CC2)C(=O)c1cocc1)C
• InChI: InChI=1S/C20H30N4O4/c1-21(2)17-3-7-22(13-17)10-11-24-15-20(28-19(24)26)5-8-23(9-6-20)18(25)16-4-12-27-14-16/h4,12,14,17H,3,5-11,13,15H2,1-2H3
• InChIKey: QEOOBOQUVVYHBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl}-8-(furan-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 3-{2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl}-8-(furan-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• Synonyms: 3-{2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl}-8-(3-furoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -3.4277174
• LogD (pH = 7.4): -2.0658398
• Log P: 0.022210043
• Molar Refractivity: 105.3145 cm^3
• Polarizability: 40.470436 Å^3
• Polar Surface Area: 69.47 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 0.54
• LOG S: -2.51
• Polar Surface Area: 69.47 Å^2
• Rotatable Bonds: 5