N-{1,9-dioxaspiro[5.5]undecan-4-yl}-2-(pyrazin-2-yl)acetamide

• ChemBase ID: 688068
• Molecular Formular: C15H21N3O3
• Molecular Mass: 291.34554
• Monoisotopic Mass: 291.15829155
• SMILES: C(=O)(Cc1nccnc1)NC1CC2(OCC1)CCOCC2
• Canonical SMILES: O=C(Cc1cnccn1)NC1CCOC2(C1)CCOCC2
• InChI: InChI=1S/C15H21N3O3/c19-14(9-13-11-16-4-5-17-13)18-12-1-6-21-15(10-12)2-7-20-8-3-15/h4-5,11-12H,1-3,6-10H2,(H,18,19)
• InChIKey: BSPGEMZMQKEWEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1,9-dioxaspiro[5.5]undecan-4-yl}-2-(pyrazin-2-yl)acetamide
• IUPAC Traditional name: N-{1,9-dioxaspiro[5.5]undecan-4-yl}-2-(pyrazin-2-yl)acetamide
• Synonyms: N-1,9-dioxaspiro[5.5]undec-4-yl-2-pyrazin-2-ylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.961109
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.1756295
• LogD (pH = 7.4): -1.1756262
• Log P: -1.175626
• Molar Refractivity: 76.2393 cm^3
• Polarizability: 29.9656 Å^3
• Polar Surface Area: 73.34 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -1.45
• LOG S: -2.6
• Polar Surface Area: 73.34 Å^2
• Rotatable Bonds: 3