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2',5'-Dimethyl-4'-oxiranylacetanilide

HCID 18316769
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CC(=O)Nc1cc(C)c(C2CO2)cc1C
InChIKey
PZROYGOIIRJMCZ-UHFFFAOYSA-N
Molecular formula
C12H15NO2
Average molar mass
205.25 g/mol

Names & identifiers

Preferred name
2',5'-Dimethyl-4'-oxiranylacetanilide
IUPAC
N-[2,5-dimethyl-4-(oxiran-2-yl)phenyl]acetamide

Names & synonyms

SCHEMBL7105441PZROYGOIIRJMCZ-UHFFFAOYSA-N2',5'-dimethyl-4'-oxiranylacetanilide

Database identifiers

PubChem CID
18316769

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
41.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
15
Formal charge
0
Complexity
254

Related reactions

2 records
New reaction record
HRID 275996 reaction equation
HRID 275996As productuspto-grants-2002_03
HRID 1543003 reaction equation
HRID 1543003As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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