2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide

C17H23NO3 — CID 111543243

IUPAC2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide
SMILESCc1ccc2c(CC(=O)N(C)CC(C)(C)O)coc2c1C
InChIInChI=1S/C17H23NO3/c1-11-6-7-14-13(9-21-16(14)12(11)2)8-15(19)18(5)10-17(3,4)20/h6-7,9,20H,8,10H2,1-5H3
InChIKeyAMDKVLBJQMCGPR-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.82
Rot. Bonds4

About 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide

2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide (PubChem CID 111543243) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide
PubChem CID111543243
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide
SMILESCc1ccc2c(CC(=O)N(C)CC(C)(C)O)coc2c1C
InChIInChI=1S/C17H23NO3/c1-11-6-7-14-13(9-21-16(14)12(11)2)8-15(19)18(5)10-17(3,4)20/h6-7,9,20H,8,10H2,1-5H3
InChIKeyAMDKVLBJQMCGPR-UHFFFAOYSA-N
XLogP2.82
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide 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-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 109388466
N-tert-butyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 8779926
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 27226969
N-[(2,4-dimethoxyphenyl)methyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)-N-methylacetamide
CID 27774295
N-(1-aminopropan-2-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)-N-methylacetamide
CID 119583813
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide
CID 9440899
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylacetamide
CID 9439235
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
N-(3-aminobutyl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 119497942

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide?
The IUPAC name of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide (CID 111543243) is 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide.
What is the SMILES notation for 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide?
The canonical SMILES for 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide is Cc1ccc2c(CC(=O)N(C)CC(C)(C)O)coc2c1C.
What is the InChIKey of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide?
The InChIKey is AMDKVLBJQMCGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-11-6-7-14-13(9-21-16(14)12(11)2)8-15(19)18(5)10-17(3,4)20/h6-7,9,20H,8,10H2,1-5H3.
What are the key properties of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide?
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide has a molecular weight of 289.38 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide is sourced from PubChem (CID 111543243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).