8-(2-methoxyethyl)-9-oxo-N-(2-phenylethyl)-2,8-diazaspiro[5.5]undecane-2-carboxamide

• ChemBase ID: 505062
• Molecular Formular: C21H31N3O3
• Molecular Mass: 373.48914
• Monoisotopic Mass: 373.23654187
• SMILES: N1(C(=O)NCCc2ccccc2)CC2(CN(C(=O)CC2)CCOC)CCC1
• Canonical SMILES: COCCN1CC2(CCCN(C2)C(=O)NCCc2ccccc2)CCC1=O
• InChI: InChI=1S/C21H31N3O3/c1-27-15-14-23-16-21(11-8-19(23)25)10-5-13-24(17-21)20(26)22-12-9-18-6-3-2-4-7-18/h2-4,6-7H,5,8-17H2,1H3,(H,22,26)
• InChIKey: VGDORMXMDRVSCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(2-methoxyethyl)-9-oxo-N-(2-phenylethyl)-2,8-diazaspiro[5.5]undecane-2-carboxamide
• IUPAC Traditional name: 8-(2-methoxyethyl)-9-oxo-N-(2-phenylethyl)-2,8-diazaspiro[5.5]undecane-2-carboxamide
• Synonyms: 8-(2-methoxyethyl)-9-oxo-N-(2-phenylethyl)-2,8-diazaspiro[5.5]undecane-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.332036
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3138033
• LogD (pH = 7.4): 1.3138039
• Log P: 1.3138039
• Molar Refractivity: 105.2519 cm^3
• Polarizability: 40.74386 Å^3
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.33
• LOG S: -3.91
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 6