2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[(2S)-3-methylbutan-2-yl]acetamide

C17H23NO2 — CID 27511094

IUPAC2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[(2S)-3-methylbutan-2-yl]acetamide
SMILESCc1ccc2c(CC(=O)N[C@@H](C)C(C)C)coc2c1C
InChIInChI=1S/C17H23NO2/c1-10(2)13(5)18-16(19)8-14-9-20-17-12(4)11(3)6-7-15(14)17/h6-7,9-10,13H,8H2,1-5H3,(H,18,19)/t13-/m0/s1
InChIKeyAVYCCPJAHCENSB-ZDUSSCGKSA-N
MW273.38 g/mol
LogP3.75
Rot. Bonds4

About 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[(2S)-3-methylbutan-2-yl]acetamide

2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[(2S)-3-methylbutan-2-yl]acetamide (PubChem CID 27511094) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[(2S)-3-methylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[(2S)-3-methylbutan-2-yl]acetamide
PubChem CID27511094
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[(2S)-3-methylbutan-2-yl]acetamide
SMILESCc1ccc2c(CC(=O)N[C@@H](C)C(C)C)coc2c1C
InChIInChI=1S/C17H23NO2/c1-10(2)13(5)18-16(19)8-14-9-20-17-12(4)11(3)6-7-15(14)17/h6-7,9-10,13H,8H2,1-5H3,(H,18,19)/t13-/m0/s1
InChIKeyAVYCCPJAHCENSB-ZDUSSCGKSA-N
XLogP3.75
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[(2S)-3-methylbutan-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(6,7-dimethyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide
CID 1285216
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate
CID 7617694
methyl (2R)-2-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]propanoate
CID 40918319
N-tert-butyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 8779926
N'-acetyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetohydrazide
CID 17435910
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
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 46575789
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
5-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]pentanoic acid
CID 119235240
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 17466272

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[(2S)-3-methylbutan-2-yl]acetamide?
The IUPAC name of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[(2S)-3-methylbutan-2-yl]acetamide (CID 27511094) is 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[(2S)-3-methylbutan-2-yl]acetamide.
What is the SMILES notation for 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[(2S)-3-methylbutan-2-yl]acetamide?
The canonical SMILES for 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[(2S)-3-methylbutan-2-yl]acetamide is Cc1ccc2c(CC(=O)N[C@@H](C)C(C)C)coc2c1C.
What is the InChIKey of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[(2S)-3-methylbutan-2-yl]acetamide?
The InChIKey is AVYCCPJAHCENSB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23NO2/c1-10(2)13(5)18-16(19)8-14-9-20-17-12(4)11(3)6-7-15(14)17/h6-7,9-10,13H,8H2,1-5H3,(H,18,19)/t13-/m0/s1.
What are the key properties of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[(2S)-3-methylbutan-2-yl]acetamide?
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[(2S)-3-methylbutan-2-yl]acetamide has a molecular weight of 273.38 g/mol, XLogP of 3.75, 4 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-[(2S)-3-methylbutan-2-yl]acetamide is sourced from PubChem (CID 27511094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).