[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate

C23H22N2O4 — CID 8846060

IUPAC[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
SMILESCc1ccc2c(CC(=O)OCC(=O)NCCc3c[nH]c4ccccc34)coc2c1
InChIInChI=1S/C23H22N2O4/c1-15-6-7-19-17(13-28-21(19)10-15)11-23(27)29-14-22(26)24-9-8-16-12-25-20-5-3-2-4-18(16)20/h2-7,10,12-13,25H,8-9,11,14H2,1H3,(H,24,26)
InChIKeyXCMJOUMVVVFKGJ-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.67
Rot. Bonds7

About [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate

[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate (PubChem CID 8846060) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Name[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
PubChem CID8846060
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
SMILESCc1ccc2c(CC(=O)OCC(=O)NCCc3c[nH]c4ccccc34)coc2c1
InChIInChI=1S/C23H22N2O4/c1-15-6-7-19-17(13-28-21(19)10-15)11-23(27)29-14-22(26)24-9-8-16-12-25-20-5-3-2-4-18(16)20/h2-7,10,12-13,25H,8-9,11,14H2,1H3,(H,24,26)
InChIKeyXCMJOUMVVVFKGJ-UHFFFAOYSA-N
XLogP3.67
TPSA84.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-(6-methyl-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

methyl 3-(1H-indol-3-yl)-2-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]propanoate
CID 73421738
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 9405572
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-(2-methoxyphenyl)acetate
CID 9337378
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 3,5-dimethylbenzoate
CID 9229214
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate
CID 8846113
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2,4,6-trimethylbenzoate
CID 8807940
[2-(tert-butylamino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 7872108
[2-(2-methoxyethylamino)-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 7960167
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 7872035
[2-(4-acetamidoanilino)-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 8525331
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-phenoxyacetate
CID 9018351
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] (2S)-2-(3-methylphenoxy)propanoate
CID 8846694

Frequently Asked Questions

What is the IUPAC name of [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate?
The IUPAC name of [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate (CID 8846060) is [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate.
What is the SMILES notation for [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate?
The canonical SMILES for [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate is Cc1ccc2c(CC(=O)OCC(=O)NCCc3c[nH]c4ccccc34)coc2c1.
What is the InChIKey of [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate?
The InChIKey is XCMJOUMVVVFKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-15-6-7-19-17(13-28-21(19)10-15)11-23(27)29-14-22(26)24-9-8-16-12-25-20-5-3-2-4-18(16)20/h2-7,10,12-13,25H,8-9,11,14H2,1H3,(H,24,26).
What are the key properties of [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate?
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate has a molecular weight of 390.44 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 8846060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).