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2-(5-Dimethylaminomethyl-benzofuran-3-yl)-acetamide

HCID 59192034
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CN(C)Cc1ccc2occ(CC(N)=O)c2c1
InChIKey
IHPGRZXGJSJMBB-UHFFFAOYSA-N
Molecular formula
C13H16N2O2
Average molar mass
232.28 g/mol

Names & identifiers

Preferred name
2-(5-Dimethylaminomethyl-benzofuran-3-yl)-acetamide
IUPAC
2-[5-[(dimethylamino)methyl]-1-benzofuran-3-yl]acetamide

Names & synonyms

SCHEMBL3603251IHPGRZXGJSJMBB-UHFFFAOYSA-N2-(5-dimethylaminomethyl-benzofuran-3-yl)-acetamide

Database identifiers

PubChem CID
59192034

Properties

Computed structural properties

XLogP
1
Topological polar surface area
59.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
17
Formal charge
0
Complexity
281

Related reactions

5 records
New reaction record
HRID 216686 reaction equation
HRID 216686As reactantuspto-grants-2012_06
HRID 216687 reaction equation
HRID 216687As productuspto-grants-2012_06
HRID 402905 reaction equation
HRID 402905As reactantuspto-grants-2014_06
HRID 402906 reaction equation
HRID 402906As productuspto-grants-2014_06
HRID 801245 reaction equation
HRID 801245As productTest data from https://doi.org/10.1039/C8SC04228D

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes