N-(4-{2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl}-4-oxobutyl)acetamide

• ChemBase ID: 663899
• Molecular Formular: C23H35N3O2
• Molecular Mass: 385.5429
• Monoisotopic Mass: 385.27292738
• SMILES: N1(C(=O)CCCNC(=O)C)CCC2(CC(CN(C2)CC)c2ccccc2)CC1
• Canonical SMILES: CCN1CC(CC2(C1)CCN(CC2)C(=O)CCCNC(=O)C)c1ccccc1
• InChI: InChI=1S/C23H35N3O2/c1-3-25-17-21(20-8-5-4-6-9-20)16-23(18-25)11-14-26(15-12-23)22(28)10-7-13-24-19(2)27/h4-6,8-9,21H,3,7,10-18H2,1-2H3,(H,24,27)
• InChIKey: ILYATQKFGRYJKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.904742
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.8790246
• LogD (pH = 7.4): -0.67455614
• Log P: 1.5294827
• Molar Refractivity: 113.369 cm^3
• Polarizability: 44.04461 Å^3
• Polar Surface Area: 52.65 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: 2.35
• LOG S: -4.02
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 6