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

• ChemBase ID: 593763
• Molecular Formular: C20H28N4O3
• Molecular Mass: 372.46132
• Monoisotopic Mass: 372.21614078
• SMILES: N1(C(=O)CCC2(C1)CN(C(=O)CNC(=O)C)CCC2)CCc1ncccc1
• Canonical SMILES: CC(=O)NCC(=O)N1CCCC2(C1)CCC(=O)N(C2)CCc1ccccn1
• InChI: InChI=1S/C20H28N4O3/c1-16(25)22-13-19(27)23-11-4-8-20(14-23)9-6-18(26)24(15-20)12-7-17-5-2-3-10-21-17/h2-3,5,10H,4,6-9,11-15H2,1H3,(H,22,25)
• InChIKey: RSCYBQKCIZRARE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.124663
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.86645633
• LogD (pH = 7.4): -0.8230685
• Log P: -0.8224833
• Molar Refractivity: 100.7038 cm^3
• Polarizability: 39.246155 Å^3
• Polar Surface Area: 82.61 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.02
• LOG S: -1.94
• Polar Surface Area: 82.61 Å^2
• Rotatable Bonds: 5