N-(2-{9-oxo-8-[2-(pyridin-2-yl)ethyl]-2,8-diazaspiro[5.5]undecan-2-yl}ethyl)acetamide

• ChemBase ID: 652192
• Molecular Formular: C20H30N4O2
• Molecular Mass: 358.4778
• Monoisotopic Mass: 358.23687622
• SMILES: N1(C(=O)CCC2(C1)CN(CCNC(=O)C)CCC2)CCc1ncccc1
• Canonical SMILES: CC(=O)NCCN1CCCC2(C1)CCC(=O)N(C2)CCc1ccccn1
• InChI: InChI=1S/C20H30N4O2/c1-17(25)21-11-14-23-12-4-8-20(15-23)9-6-19(26)24(16-20)13-7-18-5-2-3-10-22-18/h2-3,5,10H,4,6-9,11-16H2,1H3,(H,21,25)
• InChIKey: BICRORZQNDVDOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-{9-oxo-8-[2-(pyridin-2-yl)ethyl]-2,8-diazaspiro[5.5]undecan-2-yl}ethyl)acetamide
• IUPAC Traditional name: N-(2-{9-oxo-8-[2-(pyridin-2-yl)ethyl]-2,8-diazaspiro[5.5]undecan-2-yl}ethyl)acetamide
• Synonyms: N-(2-{9-oxo-8-[2-(2-pyridinyl)ethyl]-2,8-diazaspiro[5.5]undec-2-yl}ethyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.909597
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.6343982
• LogD (pH = 7.4): -0.8172118
• Log P: 0.07776838
• Molar Refractivity: 101.0227 cm^3
• Polarizability: 39.53911 Å^3
• Polar Surface Area: 65.54 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.15
• LOG S: -1.95
• Polar Surface Area: 65.54 Å^2
• Rotatable Bonds: 6