5-{2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl}-5-oxopentanamide

• ChemBase ID: 835729
• Molecular Formular: C22H33N3O2
• Molecular Mass: 371.51632
• Monoisotopic Mass: 371.25727731
• SMILES: N1(C(=O)CCCC(=O)N)CCC2(CC(CN(C2)CC)c2ccccc2)CC1
• Canonical SMILES: CCN1CC(CC2(C1)CCN(CC2)C(=O)CCCC(=O)N)c1ccccc1
• InChI: InChI=1S/C22H33N3O2/c1-2-24-16-19(18-7-4-3-5-8-18)15-22(17-24)11-13-25(14-12-22)21(27)10-6-9-20(23)26/h3-5,7-8,19H,2,6,9-17H2,1H3,(H2,23,26)
• InChIKey: HYZIYHZZLHAMCR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl}-5-oxopentanamide
• IUPAC Traditional name: 5-{2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl}-5-oxopentanamide
• Synonyms: 5-(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undec-9-yl)-5-oxopentanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.218472
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.8369265
• LogD (pH = 7.4): -0.632458
• Log P: 1.5715809
• Molar Refractivity: 108.4276 cm^3
• Polarizability: 42.20179 Å^3
• Polar Surface Area: 66.64 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: 2.17
• LOG S: -3.76
• Polar Surface Area: 66.64 Å^2
• Rotatable Bonds: 6