[2-(3-methylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate

C20H19NO5 — CID 2538720

IUPAC[2-(3-methylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
SMILESCOc1ccc2c(CC(=O)OCC(=O)Nc3cccc(C)c3)coc2c1
InChIInChI=1S/C20H19NO5/c1-13-4-3-5-15(8-13)21-19(22)12-26-20(23)9-14-11-25-18-10-16(24-2)6-7-17(14)18/h3-8,10-11H,9,12H2,1-2H3,(H,21,22)
InChIKeyTWNNYTKKFULKTA-UHFFFAOYSA-N
MW353.37 g/mol
LogP3.47
Rot. Bonds6

About [2-(3-methylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate

[2-(3-methylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate (PubChem CID 2538720) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is [2-(3-methylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Name[2-(3-methylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
PubChem CID2538720
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Name[2-(3-methylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
SMILESCOc1ccc2c(CC(=O)OCC(=O)Nc3cccc(C)c3)coc2c1
InChIInChI=1S/C20H19NO5/c1-13-4-3-5-15(8-13)21-19(22)12-26-20(23)9-14-11-25-18-10-16(24-2)6-7-17(14)18/h3-8,10-11H,9,12H2,1-2H3,(H,21,22)
InChIKeyTWNNYTKKFULKTA-UHFFFAOYSA-N
XLogP3.47
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(3-methylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate with MolForge

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Related Compounds

Butyl 3-[(1-benzofuran-2-ylcarbonyl)amino]benzoate
CID 1567373
3-[[2-Benzofuranyl(oxo)methyl]amino]benzoic acid ethyl ester
CID 682562
2-(6-methoxy-1-benzofuran-3-yl)-N-(2-methoxyphenyl)acetamide
CID 2599357
N-(3-methylphenyl)-2-(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yloxy)acetamide
CID 827855
N-(2,4-dimethoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 797590
[2-(3-Acetylanilino)-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 2337068
[2-(4-Methylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 2538738
[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 2570762
Methyl 3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]-4-methylbenzoate
CID 2673208
3-[[2-(6-Methoxy-3-benzofuranyl)-1-oxoethyl]amino]benzoic acid methyl ester
CID 2676408
2-(6-methoxy-1-benzofuran-3-yl)-N-(2-morpholin-4-ylphenyl)acetamide
CID 2677657
ethyl 7-[2-(4-fluoroanilino)-2-oxoethoxy]-4-oxo-4H-chromene-2-carboxylate
CID 2813275

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate?
The IUPAC name of [2-(3-methylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate (CID 2538720) is [2-(3-methylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate.
What is the SMILES notation for [2-(3-methylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate?
The canonical SMILES for [2-(3-methylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate is COc1ccc2c(CC(=O)OCC(=O)Nc3cccc(C)c3)coc2c1.
What is the InChIKey of [2-(3-methylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate?
The InChIKey is TWNNYTKKFULKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5/c1-13-4-3-5-15(8-13)21-19(22)12-26-20(23)9-14-11-25-18-10-16(24-2)6-7-17(14)18/h3-8,10-11H,9,12H2,1-2H3,(H,21,22).
What are the key properties of [2-(3-methylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate?
[2-(3-methylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate has a molecular weight of 353.37 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylanilino)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 2538720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).