2-[2-(2-methoxyethoxy)acetyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 707279
• Molecular Formular: C18H30N2O5
• Molecular Mass: 354.4412
• Monoisotopic Mass: 354.21547207
• SMILES: C12(C(=O)N(C3CCOCC3)CCC2)CN(C(=O)COCCOC)CC1
• Canonical SMILES: COCCOCC(=O)N1CCC2(C1)CCCN(C2=O)C1CCOCC1
• InChI: InChI=1S/C18H30N2O5/c1-23-11-12-25-13-16(21)19-8-6-18(14-19)5-2-7-20(17(18)22)15-3-9-24-10-4-15/h15H,2-14H2,1H3
• InChIKey: ALOQQMMDYRMAIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(2-methoxyethoxy)acetyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-[2-(2-methoxyethoxy)acetyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-[(2-methoxyethoxy)acetyl]-7-(tetrahydro-2H-pyran-4-yl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• Log P: -0.8909381
• Molar Refractivity: 92.8446 cm^3
• Polarizability: 36.26511 Å^3
• Polar Surface Area: 68.31 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 19.809929
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.89094007
• LogD (pH = 7.4): -0.89093816

供应商提供(Chembridge)

• Log P: -0.26
• LOG S: -2.87
• Polar Surface Area: 68.31 Å^2
• Rotatable Bonds: 6
• H Acceptors: 5
• H Donor: 0