A1A3P

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

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

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Chemical Details

Formal Charge0
Atom Count36
Chiral Atom Count0
Bond Count37
Aromatic Bond Count6
2D diagram of A1A3P

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Chemical Component Summary

NameN-(4-acetylphenyl)-2-(pyrrolidin-1-yl)acetamide
Systematic Name (OpenEye OEToolkits)~{N}-(4-ethanoylphenyl)-2-pyrrolidin-1-yl-ethanamide
FormulaC14 H18 N2 O2
Molecular Weight246.305
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(Nc1ccc(cc1)C(C)=O)CN1CCCC1
SMILESCACTVS3.385CC(=O)c1ccc(NC(=O)CN2CCCC2)cc1
SMILESOpenEye OEToolkits3.1.0.0CC(=O)c1ccc(cc1)NC(=O)CN2CCCC2
Canonical SMILESCACTVS3.385 CC(=O)c1ccc(NC(=O)CN2CCCC2)cc1
Canonical SMILESOpenEye OEToolkits3.1.0.0 CC(=O)c1ccc(cc1)NC(=O)CN2CCCC2
InChIInChI1.06 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)
InChIKeyInChI1.06 BTFSIMIIDGGVRU-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 930524
ChEMBL CHEMBL1388095