2-(2-methoxyethyl)-8-(oxan-4-yl)-2,8-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 687758
• Molecular Formular: C17H30N2O3
• Molecular Mass: 310.4317
• Monoisotopic Mass: 310.22564283
• SMILES: N1(C(=O)CCC2(C1)CN(C1CCOCC1)CCC2)CCOC
• Canonical SMILES: COCCN1CC2(CCCN(C2)C2CCOCC2)CCC1=O
• InChI: InChI=1S/C17H30N2O3/c1-21-12-9-19-14-17(7-3-16(19)20)6-2-8-18(13-17)15-4-10-22-11-5-15/h15H,2-14H2,1H3
• InChIKey: MRPYXAJJFBTBPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxyethyl)-8-(oxan-4-yl)-2,8-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 2-(2-methoxyethyl)-8-(oxan-4-yl)-2,8-diazaspiro[5.5]undecan-3-one
• Synonyms: 2-(2-methoxyethyl)-8-(tetrahydro-2H-pyran-4-yl)-2,8-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -3.2841694
• LogD (pH = 7.4): -2.1706247
• Log P: 0.14483085
• Molar Refractivity: 86.5152 cm^3
• Polarizability: 33.981834 Å^3
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.51
• LOG S: -3.61
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 4