A1A3P

N-(4-acetylphenyl)-2-(pyrrolidin-1-yl)acetamide

Created:	2024-08-29
Last modified:	2024-11-06

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1 entries where A1A3P is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	0
Bond Count	37
Aromatic Bond Count	6

2D diagram of A1A3P

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Chemical Component Summary
Name	N-(4-acetylphenyl)-2-(pyrrolidin-1-yl)acetamide
Systematic Name (OpenEye OEToolkits)	~{N}-(4-ethanoylphenyl)-2-pyrrolidin-1-yl-ethanamide
Formula	C₁₄ H₁₈ N₂ O₂
Molecular Weight	246.305
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	O=C(Nc1ccc(cc1)C(C)=O)CN1CCCC1
SMILES	CACTVS	3.385	CC(=O)c1ccc(NC(=O)CN2CCCC2)cc1
SMILES	OpenEye OEToolkits	3.1.0.0	CC(=O)c1ccc(cc1)NC(=O)CN2CCCC2
Canonical SMILES	CACTVS	3.385	CC(=O)c1ccc(NC(=O)CN2CCCC2)cc1
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	CC(=O)c1ccc(cc1)NC(=O)CN2CCCC2
InChI	InChI	1.06	InChI=1S/C14H18N2O2/c1-11(17)12-4-6-13(7-5-12)15-14(18)10-16-8-2-3-9-16/h4-7H,2-3,8-10H2,1H3,(H,15,18)
InChIKey	InChI	1.06	BTFSIMIIDGGVRU-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	930524
ChEMBL	CHEMBL1388095

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.