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

C20H21NO2 — CID 5118725

IUPAC2-(4,6-dimethyl-1-benzofuran-3-yl)-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cc2coc3cc(C)cc(C)c23)c(C)c1
InChIInChI=1S/C20H21NO2/c1-12-5-6-17(14(3)7-12)21-19(22)10-16-11-23-18-9-13(2)8-15(4)20(16)18/h5-9,11H,10H2,1-4H3,(H,21,22)
InChIKeyKZFCBESJXOGYNW-UHFFFAOYSA-N
MW307.39 g/mol
LogP4.85
Rot. Bonds3

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

2-(4,6-dimethyl-1-benzofuran-3-yl)-N-(2,4-dimethylphenyl)acetamide (PubChem CID 5118725) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(4,6-dimethyl-1-benzofuran-3-yl)-N-(2,4-dimethylphenyl)acetamide
PubChem CID5118725
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name2-(4,6-dimethyl-1-benzofuran-3-yl)-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cc2coc3cc(C)cc(C)c23)c(C)c1
InChIInChI=1S/C20H21NO2/c1-12-5-6-17(14(3)7-12)21-19(22)10-16-11-23-18-9-13(2)8-15(4)20(16)18/h5-9,11H,10H2,1-4H3,(H,21,22)
InChIKeyKZFCBESJXOGYNW-UHFFFAOYSA-N
XLogP4.85
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-difluorophenyl)-2-(4,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 18859346
N-(2,4-dimethylphenyl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 3367131
2-(4,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 18871909
2-chloro-N'-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]benzohydrazide
CID 18871924
2,4-dichloro-N'-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]benzohydrazide
CID 18871928
N-(2-chloro-4,6-dimethylphenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 3946698
N-(2,4-dimethylphenyl)-2-(1,3-oxazol-4-yl)acetamide
CID 110686330
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-fluoro-2-methylphenyl)acetamide
CID 8864750
2-[4-(aminomethyl)phenyl]-N-(2,4-dimethylphenyl)acetamide
CID 63590839
2-(4-bromophenyl)-N-(2,4-dimethylphenyl)acetamide
CID 2600129
2-(4,6-dimethyl-1-benzofuran-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 18861355
N-(4-bromo-2-methylphenyl)-2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetamide
CID 108805970

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-(2,4-dimethylphenyl)acetamide?
The IUPAC name of 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-(2,4-dimethylphenyl)acetamide (CID 5118725) is 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-(2,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)Cc2coc3cc(C)cc(C)c23)c(C)c1.
What is the InChIKey of 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-(2,4-dimethylphenyl)acetamide?
The InChIKey is KZFCBESJXOGYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-12-5-6-17(14(3)7-12)21-19(22)10-16-11-23-18-9-13(2)8-15(4)20(16)18/h5-9,11H,10H2,1-4H3,(H,21,22).
What are the key properties of 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-(2,4-dimethylphenyl)acetamide?
2-(4,6-dimethyl-1-benzofuran-3-yl)-N-(2,4-dimethylphenyl)acetamide has a molecular weight of 307.39 g/mol, XLogP of 4.85, 3 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)-N-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 5118725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).