{2-[8-(2-methoxyethyl)-9-oxo-2,8-diazaspiro[5.5]undecan-2-yl]-2-oxoethyl}urea

• ChemBase ID: 426781
• Molecular Formular: C15H26N4O4
• Molecular Mass: 326.39134
• Monoisotopic Mass: 326.19540533
• SMILES: N1(C(=O)CCC2(C1)CN(C(=O)CNC(=O)N)CCC2)CCOC
• Canonical SMILES: COCCN1CC2(CCCN(C2)C(=O)CNC(=O)N)CCC1=O
• InChI: InChI=1S/C15H26N4O4/c1-23-8-7-19-11-15(5-3-12(19)20)4-2-6-18(10-15)13(21)9-17-14(16)22/h2-11H2,1H3,(H3,16,17,22)
• InChIKey: BOEYCPGVYCZSEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {2-[8-(2-methoxyethyl)-9-oxo-2,8-diazaspiro[5.5]undecan-2-yl]-2-oxoethyl}urea
• IUPAC Traditional name: 2-[8-(2-methoxyethyl)-9-oxo-2,8-diazaspiro[5.5]undecan-2-yl]-2-oxoethylurea
• Synonyms: N-{2-[8-(2-methoxyethyl)-9-oxo-2,8-diazaspiro[5.5]undec-2-yl]-2-oxoethyl}urea (non-preferred name)

CALCULATED PROPERTIES

JChem

• Molar Refractivity: 83.7911 cm^3
• Polarizability: 32.46333 Å^3
• Polar Surface Area: 104.97 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 14.901874
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.0282898
• LogD (pH = 7.4): -2.0282898
• Log P: -2.0282896

供应商提供(Chembridge)

• Polar Surface Area: 104.97 Å^2
• Rotatable Bonds: 5
• H Acceptors: 4
• H Donor: 2
• Log P: -1.24
• LOG S: -1.83