2-(3-oxo-9-{spiro[2.3]hexane-1-carbonyl}-2,9-diazaspiro[5.5]undecan-2-yl)acetamide

• ChemBase ID: 537721
• Molecular Formular: C18H27N3O3
• Molecular Mass: 333.42528
• Monoisotopic Mass: 333.20524174
• SMILES: C1(C2(C1)CCC2)C(=O)N1CCC2(CN(C(=O)CC2)CC(=O)N)CC1
• Canonical SMILES: NC(=O)CN1CC2(CCN(CC2)C(=O)C2CC32CCC3)CCC1=O
• InChI: InChI=1S/C18H27N3O3/c19-14(22)11-21-12-17(5-2-15(21)23)6-8-20(9-7-17)16(24)13-10-18(13)3-1-4-18/h13H,1-12H2,(H2,19,22)
• InChIKey: LGNDGLJAYIANJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-oxo-9-{spiro[2.3]hexane-1-carbonyl}-2,9-diazaspiro[5.5]undecan-2-yl)acetamide
• IUPAC Traditional name: 2-(3-oxo-9-{spiro[2.3]hexane-1-carbonyl}-2,9-diazaspiro[5.5]undecan-2-yl)acetamide
• Synonyms: 2-[3-oxo-9-(spiro[2.3]hex-1-ylcarbonyl)-2,9-diazaspiro[5.5]undec-2-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.861369
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.6796483
• LogD (pH = 7.4): -0.67964697
• Log P: -0.67964697
• Molar Refractivity: 88.5499 cm^3
• Polarizability: 34.63712 Å^3
• Polar Surface Area: 83.71 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.09
• LOG S: -3.02
• Polar Surface Area: 83.71 Å^2
• Rotatable Bonds: 3