[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate

C24H26N2O5 — CID 8525379

IUPAC[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate
SMILESCCc1ccc2c(CC(=O)OCC(=O)N(C)CC(=O)Nc3ccc(C)cc3)coc2c1
InChIInChI=1S/C24H26N2O5/c1-4-17-7-10-20-18(14-30-21(20)11-17)12-24(29)31-15-23(28)26(3)13-22(27)25-19-8-5-16(2)6-9-19/h5-11,14H,4,12-13,15H2,1-3H3,(H,25,27)
InChIKeyWOJWXRPRMYOAOD-UHFFFAOYSA-N
MW422.48 g/mol
LogP3.49
Rot. Bonds8

About [2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate

[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate (PubChem CID 8525379) has the molecular formula C24H26N2O5 and a molecular weight of 422.48 g/mol. Its IUPAC name is [2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Name[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate
PubChem CID8525379
Molecular FormulaC24H26N2O5
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC Name[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate
SMILESCCc1ccc2c(CC(=O)OCC(=O)N(C)CC(=O)Nc3ccc(C)cc3)coc2c1
InChIInChI=1S/C24H26N2O5/c1-4-17-7-10-20-18(14-30-21(20)11-17)12-24(29)31-15-23(28)26(3)13-22(27)25-19-8-5-16(2)6-9-19/h5-11,14H,4,12-13,15H2,1-3H3,(H,25,27)
InChIKeyWOJWXRPRMYOAOD-UHFFFAOYSA-N
XLogP3.49
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(6-ethyl-1-benzofuran-3-yl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide
CID 9440831
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate
CID 8525541
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate
CID 8525426
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 8525331
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 8525269
[2-(4-methoxyanilino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 8525277
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate
CID 8846113
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 7872216
[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-thiophen-2-ylacetate
CID 7798834
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate
CID 8525548
[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 24518726
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate
CID 8846121

Frequently Asked Questions

What is the IUPAC name of [2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate?
The IUPAC name of [2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate (CID 8525379) is [2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate.
What is the SMILES notation for [2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate?
The canonical SMILES for [2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate is CCc1ccc2c(CC(=O)OCC(=O)N(C)CC(=O)Nc3ccc(C)cc3)coc2c1.
What is the InChIKey of [2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate?
The InChIKey is WOJWXRPRMYOAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5/c1-4-17-7-10-20-18(14-30-21(20)11-17)12-24(29)31-15-23(28)26(3)13-22(27)25-19-8-5-16(2)6-9-19/h5-11,14H,4,12-13,15H2,1-3H3,(H,25,27).
What are the key properties of [2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate?
[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate has a molecular weight of 422.48 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 8525379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).