0LY

N-(4-bromophenyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethanediamide

Created:2012-02-27
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count47
Chiral Atom Count0
Bond Count48
Aromatic Bond Count6
2D diagram of 0LY

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Chemical Component Summary

NameN-(4-bromophenyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethanediamide
SynonymsNBD-557
Systematic Name (OpenEye OEToolkits)N-(4-bromophenyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethanediamide
FormulaC17 H24 Br N3 O2
Molecular Weight382.295
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Brc1ccc(cc1)NC(=O)C(=O)NC2CC(NC(C)(C)C2)(C)C
SMILESCACTVS3.370CC1(C)CC(CC(C)(C)N1)NC(=O)C(=O)Nc2ccc(Br)cc2
SMILESOpenEye OEToolkits1.7.6CC1(CC(CC(N1)(C)C)NC(=O)C(=O)Nc2ccc(cc2)Br)C
Canonical SMILESCACTVS3.370 CC1(C)CC(CC(C)(C)N1)NC(=O)C(=O)Nc2ccc(Br)cc2
Canonical SMILESOpenEye OEToolkits1.7.6 CC1(CC(CC(N1)(C)C)NC(=O)C(=O)Nc2ccc(cc2)Br)C
InChIInChI1.03 InChI=1S/C17H24BrN3O2/c1-16(2)9-13(10-17(3,4)21-16)20-15(23)14(22)19-12-7-5-11(18)6-8-12/h5-8,13,21H,9-10H2,1-4H3,(H,19,22)(H,20,23)
InChIKeyInChI1.03 QQRFLGRIDNNARB-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 5279270
ChEMBL CHEMBL594768