2-(4,6-dimethyl-1-benzofuran-3-yl)acetamide

C12H13NO2 — CID 18871909

IUPAC2-(4,6-dimethyl-1-benzofuran-3-yl)acetamide
SMILESCc1cc(C)c2c(CC(N)=O)coc2c1
InChIInChI=1S/C12H13NO2/c1-7-3-8(2)12-9(5-11(13)14)6-15-10(12)4-7/h3-4,6H,5H2,1-2H3,(H2,13,14)
InChIKeyZNZUCBKUIWQPJZ-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.08
Rot. Bonds2

About 2-(4,6-dimethyl-1-benzofuran-3-yl)acetamide

2-(4,6-dimethyl-1-benzofuran-3-yl)acetamide (PubChem CID 18871909) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-(4,6-dimethyl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound Name2-(4,6-dimethyl-1-benzofuran-3-yl)acetamide
PubChem CID18871909
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name2-(4,6-dimethyl-1-benzofuran-3-yl)acetamide
SMILESCc1cc(C)c2c(CC(N)=O)coc2c1
InChIInChI=1S/C12H13NO2/c1-7-3-8(2)12-9(5-11(13)14)6-15-10(12)4-7/h3-4,6H,5H2,1-2H3,(H2,13,14)
InChIKeyZNZUCBKUIWQPJZ-UHFFFAOYSA-N
XLogP2.08
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-4,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 4904344
2-(4,6-dimethyl-1-benzofuran-3-yl)-N-(2,4-dimethylphenyl)acetamide
CID 5118725
2-(6-hydroxy-4-methyl-1-benzofuran-3-yl)acetic acid
CID 67811106
2-(4,6-dimethyl-1-benzofuran-3-yl)-N-ethyl-N-(3-methylphenyl)acetamide
CID 18871935
2-chloro-N'-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]benzohydrazide
CID 18871924
N-(2,5-difluorophenyl)-2-(4,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 18859346
2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 18861355
1-[(1S,6R)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-2-(4,6-dimethyl-1-benzofuran-3-yl)ethanone;hydrochloride
CID 154901400
1-(4-benzylpiperazin-1-yl)-2-(4,6-dimethyl-1-benzofuran-3-yl)ethanone
CID 18859351
2,4-dichloro-N'-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]benzohydrazide
CID 18871928
2-(4,6-dimethyl-1-benzofuran-3-yl)-1-(4-thiomorpholin-4-ylpiperidin-1-yl)ethanone
CID 118770423
acetic acid;2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]acetamide
CID 154907525

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-1-benzofuran-3-yl)acetamide?
The IUPAC name of 2-(4,6-dimethyl-1-benzofuran-3-yl)acetamide (CID 18871909) is 2-(4,6-dimethyl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for 2-(4,6-dimethyl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for 2-(4,6-dimethyl-1-benzofuran-3-yl)acetamide is Cc1cc(C)c2c(CC(N)=O)coc2c1.
What is the InChIKey of 2-(4,6-dimethyl-1-benzofuran-3-yl)acetamide?
The InChIKey is ZNZUCBKUIWQPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-7-3-8(2)12-9(5-11(13)14)6-15-10(12)4-7/h3-4,6H,5H2,1-2H3,(H2,13,14).
What are the key properties of 2-(4,6-dimethyl-1-benzofuran-3-yl)acetamide?
2-(4,6-dimethyl-1-benzofuran-3-yl)acetamide has a molecular weight of 203.24 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethyl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 18871909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).