3-ethyl-8-[5-(morpholin-4-ylmethyl)furan-3-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 727376
• Molecular Formular: C19H27N3O5
• Molecular Mass: 377.43478
• Monoisotopic Mass: 377.19507098
• SMILES: c1(C(=O)N2CCC3(OC(=O)N(C3)CC)CC2)cc(oc1)CN1CCOCC1
• Canonical SMILES: CCN1CC2(OC1=O)CCN(CC2)C(=O)c1coc(c1)CN1CCOCC1
• InChI: InChI=1S/C19H27N3O5/c1-2-21-14-19(27-18(21)24)3-5-22(6-4-19)17(23)15-11-16(26-13-15)12-20-7-9-25-10-8-20/h11,13H,2-10,12,14H2,1H3
• InChIKey: JFIPLOPGXRKDML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethyl-8-[5-(morpholin-4-ylmethyl)furan-3-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 3-ethyl-8-[5-(morpholin-4-ylmethyl)furan-3-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• Synonyms: 3-ethyl-8-[5-(morpholin-4-ylmethyl)-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): -0.29358795
• LogD (pH = 7.4): 0.030244423
• Log P: 0.036424525
• Molar Refractivity: 98.953 cm^3
• Polarizability: 37.835392 Å^3
• Polar Surface Area: 75.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: -0.03
• LOG S: -3.24
• Polar Surface Area: 75.46 Å^2
• Rotatable Bonds: 4