2-(4,6-dimethyl-1-benzofuran-3-yl)-N-(2,5-dimethylphenyl)acetamide

C20H21NO2 — CID 2226268

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

About 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-(2,5-dimethylphenyl)acetamide

2-(4,6-dimethyl-1-benzofuran-3-yl)-N-(2,5-dimethylphenyl)acetamide (PubChem CID 2226268) 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-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(4,6-dimethyl-1-benzofuran-3-yl)-N-(2,5-dimethylphenyl)acetamide
PubChem CID2226268
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name2-(4,6-dimethyl-1-benzofuran-3-yl)-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)Cc2coc3cc(C)cc(C)c23)c1
InChIInChI=1S/C20H21NO2/c1-12-5-6-14(3)17(8-12)21-19(22)10-16-11-23-18-9-13(2)7-15(4)20(16)18/h5-9,11H,10H2,1-4H3,(H,21,22)
InChIKeyKYKOCLIRCSDHEH-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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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-(2,5-dimethylphenyl)acetamide?
The IUPAC name of 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-(2,5-dimethylphenyl)acetamide (CID 2226268) is 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-(2,5-dimethylphenyl)acetamide is Cc1ccc(C)c(NC(=O)Cc2coc3cc(C)cc(C)c23)c1.
What is the InChIKey of 2-(4,6-dimethyl-1-benzofuran-3-yl)-N-(2,5-dimethylphenyl)acetamide?
The InChIKey is KYKOCLIRCSDHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-12-5-6-14(3)17(8-12)21-19(22)10-16-11-23-18-9-13(2)7-15(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-(2,5-dimethylphenyl)acetamide?
2-(4,6-dimethyl-1-benzofuran-3-yl)-N-(2,5-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-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 2226268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).