9A9

N-(2-{[4-(hydroxyamino)-4-oxobutyl](methyl)amino}ethyl)benzamide

Created:	2021-10-06
Last modified:	2022-10-05

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Chemical Details
Formal Charge	0
Atom Count	41
Chiral Atom Count	0
Bond Count	41
Aromatic Bond Count	6

2D diagram of 9A9

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Chemical Component Summary
Name	N-(2-{[4-(hydroxyamino)-4-oxobutyl](methyl)amino}ethyl)benzamide
Systematic Name (OpenEye OEToolkits)	~{N}-[2-[methyl-[4-(oxidanylamino)-4-oxidanylidene-butyl]amino]ethyl]benzamide
Formula	C₁₄ H₂₁ N₃ O₃
Molecular Weight	279.335
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(NCCN(C)CCCC(=O)NO)c1ccccc1
SMILES	CACTVS	3.385	CN(CCCC(=O)NO)CCNC(=O)c1ccccc1
SMILES	OpenEye OEToolkits	2.0.7	CN(CCCC(=O)NO)CCNC(=O)c1ccccc1
Canonical SMILES	CACTVS	3.385	CN(CCCC(=O)NO)CCNC(=O)c1ccccc1
Canonical SMILES	OpenEye OEToolkits	2.0.7	CN(CCCC(=O)NO)CCNC(=O)c1ccccc1
InChI	InChI	1.03	InChI=1S/C14H21N3O3/c1-17(10-5-8-13(18)16-20)11-9-15-14(19)12-6-3-2-4-7-12/h2-4,6-7,20H,5,8-11H2,1H3,(H,15,19)(H,16,18)
InChIKey	InChI	1.03	WOJAVXMANLPPBT-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	155124238

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.