UIS

N-[3-(diethylamino)phenyl]ethanamide

Created:	2023-02-06
Last modified:	2024-02-21

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2 entries where UIS is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	0
Bond Count	33
Aromatic Bond Count	6

2D diagram of UIS

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Chemical Component Summary
Name	N-[3-(diethylamino)phenyl]ethanamide
Systematic Name (OpenEye OEToolkits)	~{N}-[3-(diethylamino)phenyl]ethanamide
Formula	C₁₂ H₁₈ N₂ O
Molecular Weight	206.284
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCN(CC)c1cccc(NC(C)=O)c1
SMILES	OpenEye OEToolkits	2.0.7	CCN(CC)c1cccc(c1)NC(=O)C
Canonical SMILES	CACTVS	3.385	CCN(CC)c1cccc(NC(C)=O)c1
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCN(CC)c1cccc(c1)NC(=O)C
InChI	InChI	1.06	InChI=1S/C12H18N2O/c1-4-14(5-2)12-8-6-7-11(9-12)13-10(3)15/h6-9H,4-5H2,1-3H3,(H,13,15)
InChIKey	InChI	1.06	FPUKYOSOAAPHTN-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	80778

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.