A1AVV

N-{4-[(3-aminophenyl)ethynyl]phenyl}acetamide

Created:	2024-06-24
Last modified:	2025-06-25

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1 entries where A1AVV is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	0
Bond Count	34
Aromatic Bond Count	12

2D diagram of A1AVV

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Chemical Component Summary
Name	N-{4-[(3-aminophenyl)ethynyl]phenyl}acetamide
Systematic Name (OpenEye OEToolkits)	~{N}-[4-[2-(3-aminophenyl)ethynyl]phenyl]ethanamide
Formula	C₁₆ H₁₄ N₂ O
Molecular Weight	250.295
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(C)Nc1ccc(cc1)C#Cc1cccc(N)c1
SMILES	CACTVS	3.385	CC(=O)Nc1ccc(cc1)C#Cc2cccc(N)c2
SMILES	OpenEye OEToolkits	2.0.7	CC(=O)Nc1ccc(cc1)C#Cc2cccc(c2)N
Canonical SMILES	CACTVS	3.385	CC(=O)Nc1ccc(cc1)C#Cc2cccc(N)c2
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC(=O)Nc1ccc(cc1)C#Cc2cccc(c2)N
InChI	InChI	1.06	InChI=1S/C16H14N2O/c1-12(19)18-16-9-7-13(8-10-16)5-6-14-3-2-4-15(17)11-14/h2-4,7-11H,17H2,1H3,(H,18,19)
InChIKey	InChI	1.06	GDYCMPAYKROXHM-UHFFFAOYSA-N

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.