N-tert-butyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide

C16H21NO2 — CID 8779926

IUPACN-tert-butyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
SMILESCc1ccc2c(CC(=O)NC(C)(C)C)coc2c1C
InChIInChI=1S/C16H21NO2/c1-10-6-7-13-12(9-19-15(13)11(10)2)8-14(18)17-16(3,4)5/h6-7,9H,8H2,1-5H3,(H,17,18)
InChIKeyNGMWSXXTYQUHAP-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.51
Rot. Bonds2

About N-tert-butyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide

N-tert-butyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide (PubChem CID 8779926) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-tert-butyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
PubChem CID8779926
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-tert-butyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
SMILESCc1ccc2c(CC(=O)NC(C)(C)C)coc2c1C
InChIInChI=1S/C16H21NO2/c1-10-6-7-13-12(9-19-15(13)11(10)2)8-14(18)17-16(3,4)5/h6-7,9H,8H2,1-5H3,(H,17,18)
InChIKeyNGMWSXXTYQUHAP-UHFFFAOYSA-N
XLogP3.51
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-acetyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetohydrazide
CID 17435910
3-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]-2,2-dimethylpropanoic acid
CID 119250279
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide
CID 1285216
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 27511094
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(4-hydroxycyclohexyl)acetamide
CID 78767344
N-(2-amino-2-ethylbutyl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide;hydrochloride
CID 119642385
N-(3-aminobutyl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 119497942
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 17415366
5-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]pentanoic acid
CID 119235240
methyl (2R)-2-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]propanoate
CID 40918319
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 52706888
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-pyridin-2-ylacetamide
CID 23973660

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-tert-butyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide (CID 8779926) is N-tert-butyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-tert-butyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-tert-butyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide is Cc1ccc2c(CC(=O)NC(C)(C)C)coc2c1C.
What is the InChIKey of N-tert-butyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide?
The InChIKey is NGMWSXXTYQUHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-10-6-7-13-12(9-19-15(13)11(10)2)8-14(18)17-16(3,4)5/h6-7,9H,8H2,1-5H3,(H,17,18).
What are the key properties of N-tert-butyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide?
N-tert-butyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide has a molecular weight of 259.35 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 8779926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).