[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate

C24H26N2O5 — CID 8525548

IUPAC[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate
SMILESCCc1ccc2c(CC(=O)OCC(=O)NCC(=O)Nc3c(C)cccc3C)coc2c1
InChIInChI=1S/C24H26N2O5/c1-4-17-8-9-19-18(13-30-20(19)10-17)11-23(29)31-14-22(28)25-12-21(27)26-24-15(2)6-5-7-16(24)3/h5-10,13H,4,11-12,14H2,1-3H3,(H,25,28)(H,26,27)
InChIKeyOERAGZKQJLKUEL-UHFFFAOYSA-N
MW422.48 g/mol
LogP3.45
Rot. Bonds8

About [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate

[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate (PubChem CID 8525548) has the molecular formula C24H26N2O5 and a molecular weight of 422.48 g/mol. Its IUPAC name is [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Name[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate
PubChem CID8525548
Molecular FormulaC24H26N2O5
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC Name[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate
SMILESCCc1ccc2c(CC(=O)OCC(=O)NCC(=O)Nc3c(C)cccc3C)coc2c1
InChIInChI=1S/C24H26N2O5/c1-4-17-8-9-19-18(13-30-20(19)10-17)11-23(29)31-14-22(28)25-12-21(27)26-24-15(2)6-5-7-16(24)3/h5-10,13H,4,11-12,14H2,1-3H3,(H,25,28)(H,26,27)
InChIKeyOERAGZKQJLKUEL-UHFFFAOYSA-N
XLogP3.45
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate with MolForge

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Related Compounds

[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate
CID 8846113
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 7872035
methyl 3-[[2-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]oxyacetyl]amino]-4-methylbenzoate
CID 8525388
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate
CID 8846121
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate
CID 8525382
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate
CID 8525541
[2-(2-cyanoanilino)-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate
CID 8525492
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-ethylbenzoate
CID 7364828
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate
CID 8525426
[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7807217
[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate
CID 8525379
[2-(2,6-difluoroanilino)-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7415387

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate?
The IUPAC name of [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate (CID 8525548) is [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate.
What is the SMILES notation for [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate?
The canonical SMILES for [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate is CCc1ccc2c(CC(=O)OCC(=O)NCC(=O)Nc3c(C)cccc3C)coc2c1.
What is the InChIKey of [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate?
The InChIKey is OERAGZKQJLKUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5/c1-4-17-8-9-19-18(13-30-20(19)10-17)11-23(29)31-14-22(28)25-12-21(27)26-24-15(2)6-5-7-16(24)3/h5-10,13H,4,11-12,14H2,1-3H3,(H,25,28)(H,26,27).
What are the key properties of [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate?
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate has a molecular weight of 422.48 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 8525548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).