2-(6,7-dimethyl-1-benzofuran-3-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide

C22H24N2O3 — CID 27226969

IUPAC2-(6,7-dimethyl-1-benzofuran-3-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)Cc2coc3c(C)c(C)ccc23)cc1
InChIInChI=1S/C22H24N2O3/c1-14-5-8-18(9-6-14)23-20(25)12-24(4)21(26)11-17-13-27-22-16(3)15(2)7-10-19(17)22/h5-10,13H,11-12H2,1-4H3,(H,23,25)
InChIKeyLVVYTWLFHTUMKV-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.00
Rot. Bonds5

About 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide

2-(6,7-dimethyl-1-benzofuran-3-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide (PubChem CID 27226969) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(6,7-dimethyl-1-benzofuran-3-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
PubChem CID27226969
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name2-(6,7-dimethyl-1-benzofuran-3-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)Cc2coc3c(C)c(C)ccc23)cc1
InChIInChI=1S/C22H24N2O3/c1-14-5-8-18(9-6-14)23-20(25)12-24(4)21(26)11-17-13-27-22-16(3)15(2)7-10-19(17)22/h5-10,13H,11-12H2,1-4H3,(H,23,25)
InChIKeyLVVYTWLFHTUMKV-UHFFFAOYSA-N
XLogP4.00
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide
CID 111543243
N-[4-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 17441796
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate
CID 7617686
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 109388466
N-(1-aminopropan-2-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)-N-methylacetamide
CID 119583813
[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate
CID 8525379
2-(6-ethyl-1-benzofuran-3-yl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide
CID 9440831
2-[methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 40696364
[2-(dimethylamino)-2-oxoethyl]-methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]azanium
CID 8712336
N'-acetyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetohydrazide
CID 17435910

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide?
The IUPAC name of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide (CID 27226969) is 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide is Cc1ccc(NC(=O)CN(C)C(=O)Cc2coc3c(C)c(C)ccc23)cc1.
What is the InChIKey of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide?
The InChIKey is LVVYTWLFHTUMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-14-5-8-18(9-6-14)23-20(25)12-24(4)21(26)11-17-13-27-22-16(3)15(2)7-10-19(17)22/h5-10,13H,11-12H2,1-4H3,(H,23,25).
What are the key properties of 2-(6,7-dimethyl-1-benzofuran-3-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide?
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide has a molecular weight of 364.45 g/mol, XLogP of 4.00, 5 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-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide is sourced from PubChem (CID 27226969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).