UI7

N-[3-(hydroxymethyl)phenyl]ethanamide

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

Find Related PDB Entry
1 entries where UI7 is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	23
Chiral Atom Count	0
Bond Count	23
Aromatic Bond Count	6

2D diagram of UI7

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	N-[3-(hydroxymethyl)phenyl]ethanamide
Systematic Name (OpenEye OEToolkits)	~{N}-[3-(hydroxymethyl)phenyl]ethanamide
Formula	C₉ H₁₁ N O₂
Molecular Weight	165.189
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC(=O)Nc1cccc(CO)c1
SMILES	OpenEye OEToolkits	2.0.7	CC(=O)Nc1cccc(c1)CO
Canonical SMILES	CACTVS	3.385	CC(=O)Nc1cccc(CO)c1
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC(=O)Nc1cccc(c1)CO
InChI	InChI	1.06	InChI=1S/C9H11NO2/c1-7(12)10-9-4-2-3-8(5-9)6-11/h2-5,11H,6H2,1H3,(H,10,12)
InChIKey	InChI	1.06	WIXYDGUCWPQDPW-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	96639

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.