2-(6,7-dimethyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide

C15H19NO2 — CID 1285216

IUPAC2-(6,7-dimethyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide
SMILESCc1ccc2c(CC(=O)NC(C)C)coc2c1C
InChIInChI=1S/C15H19NO2/c1-9(2)16-14(17)7-12-8-18-15-11(4)10(3)5-6-13(12)15/h5-6,8-9H,7H2,1-4H3,(H,16,17)
InChIKeyHNRIKLKUHSRGKV-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.12
Rot. Bonds3

About 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide

2-(6,7-dimethyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide (PubChem CID 1285216) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(6,7-dimethyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide
PubChem CID1285216
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name2-(6,7-dimethyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide
SMILESCc1ccc2c(CC(=O)NC(C)C)coc2c1C
InChIInChI=1S/C15H19NO2/c1-9(2)16-14(17)7-12-8-18-15-11(4)10(3)5-6-13(12)15/h5-6,8-9H,7H2,1-4H3,(H,16,17)
InChIKeyHNRIKLKUHSRGKV-UHFFFAOYSA-N
XLogP3.12
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 27511094
methyl (2R)-2-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]propanoate
CID 40918319
N'-acetyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetohydrazide
CID 17435910
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 46575789
N-tert-butyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 8779926
N-(3-aminobutyl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 119497942
N-[1-(3,4-difluorophenyl)ethyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 43000615
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide
CID 51121857
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(1-imidazol-1-ylpropan-2-yl)acetamide
CID 51081251
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 17466272
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate
CID 7617694
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(4-hydroxycyclohexyl)acetamide
CID 78767344

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide (CID 1285216) is 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide is Cc1ccc2c(CC(=O)NC(C)C)coc2c1C.
What is the InChIKey of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide?
The InChIKey is HNRIKLKUHSRGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-9(2)16-14(17)7-12-8-18-15-11(4)10(3)5-6-13(12)15/h5-6,8-9H,7H2,1-4H3,(H,16,17).
What are the key properties of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide?
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide has a molecular weight of 245.32 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 1285216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).