2-butyl-8-[2-(2-methoxyethoxy)acetyl]-2,8-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 775029
• Molecular Formular: C18H32N2O4
• Molecular Mass: 340.45768
• Monoisotopic Mass: 340.23620751
• SMILES: N1(C(=O)CCC2(C1)CN(C(=O)COCCOC)CCC2)CCCC
• Canonical SMILES: CCCCN1CC2(CCCN(C2)C(=O)COCCOC)CCC1=O
• InChI: InChI=1S/C18H32N2O4/c1-3-4-9-19-14-18(8-6-16(19)21)7-5-10-20(15-18)17(22)13-24-12-11-23-2/h3-15H2,1-2H3
• InChIKey: NXHPUDBKQVITDY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-butyl-8-[2-(2-methoxyethoxy)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 2-butyl-8-[2-(2-methoxyethoxy)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
• Synonyms: 2-butyl-8-[(2-methoxyethoxy)acetyl]-2,8-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.814398
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.56031626
• LogD (pH = 7.4): 0.56031656
• Log P: 0.56031656
• Molar Refractivity: 92.6379 cm^3
• Polarizability: 36.25642 Å^3
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.44
• LOG S: -2.91
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 8