HBG

N-[2-(cyclohexylamino)-2-oxoethyl]-N-{[4-(hydroxycarbamoyl)phenyl]methyl}-3,5-dimethylbenzamide

Created: 2018-06-25
Last modified:  2018-08-29

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Chemical Details

Formal Charge0
Atom Count63
Chiral Atom Count0
Bond Count65
Aromatic Bond Count12
2D diagram of HBG
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Chemical Component Summary

NameN-[2-(cyclohexylamino)-2-oxoethyl]-N-{[4-(hydroxycarbamoyl)phenyl]methyl}-3,5-dimethylbenzamide
Systematic Name (OpenEye OEToolkits)~{N}-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]-3,5-dimethyl-~{N}-[[4-(oxidanylcarbamoyl)phenyl]methyl]benzamide
FormulaC25 H31 N3 O4
Molecular Weight437.531
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01Cc1cc(cc(c1)C)C(=O)N(CC(=O)NC2CCCCC2)Cc3ccc(C(NO)=O)cc3
SMILESCACTVS3.385Cc1cc(C)cc(c1)C(=O)N(CC(=O)NC2CCCCC2)Cc3ccc(cc3)C(=O)NO
SMILESOpenEye OEToolkits2.0.6Cc1cc(cc(c1)C(=O)N(Cc2ccc(cc2)C(=O)NO)CC(=O)NC3CCCCC3)C
Canonical SMILESCACTVS3.385 Cc1cc(C)cc(c1)C(=O)N(CC(=O)NC2CCCCC2)Cc3ccc(cc3)C(=O)NO
Canonical SMILESOpenEye OEToolkits2.0.6 Cc1cc(cc(c1)C(=O)N(Cc2ccc(cc2)C(=O)NO)CC(=O)NC3CCCCC3)C
InChIInChI1.03 InChI=1S/C25H31N3O4/c1-17-12-18(2)14-21(13-17)25(31)28(16-23(29)26-22-6-4-3-5-7-22)15-19-8-10-20(11-9-19)24(30)27-32/h8-14,22,32H,3-7,15-16H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyInChI1.03 PEXKZGDNGWXGSQ-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL4173361
PubChem 132515050
ChEMBL CHEMBL4173361
COD 7118462