2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide

C22H24N2O4 — CID 46636527

IUPAC2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide
SMILESCOc1ccc(C)cc1NC(=O)CNC(=O)Cc1coc2cc(C)c(C)cc12
InChIInChI=1S/C22H24N2O4/c1-13-5-6-19(27-4)18(7-13)24-22(26)11-23-21(25)10-16-12-28-20-9-15(3)14(2)8-17(16)20/h5-9,12H,10-11H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyWVKQGFCKKRAKMP-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.66
Rot. Bonds6

About 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide

2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide (PubChem CID 46636527) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide
PubChem CID46636527
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide
SMILESCOc1ccc(C)cc1NC(=O)CNC(=O)Cc1coc2cc(C)c(C)cc12
InChIInChI=1S/C22H24N2O4/c1-13-5-6-19(27-4)18(7-13)24-22(26)11-23-21(25)10-16-12-28-20-9-15(3)14(2)8-17(16)20/h5-9,12H,10-11H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyWVKQGFCKKRAKMP-UHFFFAOYSA-N
XLogP3.66
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(2-methoxyphenyl)acetamide
CID 17404145
N-(2-methoxyphenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 2599354
N'-[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]-3,4-dimethoxybenzohydrazide
CID 35934971
N-[2-(tert-butylamino)-2-oxoethyl]-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 34201561
N-[2-(2-ethylanilino)-2-oxoethyl]-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 26905155
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(2-methylphenyl)acetamide
CID 7946686
N-(2-chloro-4,5-dimethoxyphenyl)-2-(6-methyl-1-benzofuran-3-yl)acetamide
CID 17444398
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-2-methylbenzamide
CID 28917301
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide
CID 9215526
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-fluoro-2-methylphenyl)acetamide
CID 8864750
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 17460856
N-(2-methoxy-5-methylphenyl)-4-oxopentanamide
CID 60636995

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide?
The IUPAC name of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide (CID 46636527) is 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide is COc1ccc(C)cc1NC(=O)CNC(=O)Cc1coc2cc(C)c(C)cc12.
What is the InChIKey of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide?
The InChIKey is WVKQGFCKKRAKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-13-5-6-19(27-4)18(7-13)24-22(26)11-23-21(25)10-16-12-28-20-9-15(3)14(2)8-17(16)20/h5-9,12H,10-11H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide?
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide has a molecular weight of 380.44 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide is sourced from PubChem (CID 46636527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).