89Q

4-(cyclopropylmethoxy)benzamide

Created:	2021-10-07
Last modified:	2022-08-22

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1 entries where 89Q is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	0
Bond Count	28
Aromatic Bond Count	6

2D diagram of 89Q

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Chemical Component Summary
Name	4-(cyclopropylmethoxy)benzamide
Systematic Name (OpenEye OEToolkits)	4-(cyclopropylmethoxy)benzamide
Formula	C₁₁ H₁₃ N O₂
Molecular Weight	191.226
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	NC(=O)c1ccc(OCC2CC2)cc1
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1C(=O)N)OCC2CC2
Canonical SMILES	CACTVS	3.385	NC(=O)c1ccc(OCC2CC2)cc1
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1C(=O)N)OCC2CC2
InChI	InChI	1.06	InChI=1S/C11H13NO2/c12-11(13)9-3-5-10(6-4-9)14-7-8-1-2-8/h3-6,8H,1-2,7H2,(H2,12,13)
InChIKey	InChI	1.06	SEHBIQLFBDRLMB-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	69813446

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.