[2-[benzyl(ethyl)amino]-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate

C22H24N2O3 — CID 18080433

IUPAC[2-[benzyl(ethyl)amino]-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate
SMILESCCN(Cc1ccccc1)C(=O)COC(=O)c1ccc2[nH]c(C)c(C)c2c1
InChIInChI=1S/C22H24N2O3/c1-4-24(13-17-8-6-5-7-9-17)21(25)14-27-22(26)18-10-11-20-19(12-18)15(2)16(3)23-20/h5-12,23H,4,13-14H2,1-3H3
InChIKeySWGDXYDVYGEMAI-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.99
Rot. Bonds6

About [2-[benzyl(ethyl)amino]-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate

[2-[benzyl(ethyl)amino]-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate (PubChem CID 18080433) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is [2-[benzyl(ethyl)amino]-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate.

Molecular Properties

Compound Name[2-[benzyl(ethyl)amino]-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate
PubChem CID18080433
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name[2-[benzyl(ethyl)amino]-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate
SMILESCCN(Cc1ccccc1)C(=O)COC(=O)c1ccc2[nH]c(C)c(C)c2c1
InChIInChI=1S/C22H24N2O3/c1-4-24(13-17-8-6-5-7-9-17)21(25)14-27-22(26)18-10-11-20-19(12-18)15(2)16(3)23-20/h5-12,23H,4,13-14H2,1-3H3
InChIKeySWGDXYDVYGEMAI-UHFFFAOYSA-N
XLogP3.99
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze [2-[benzyl(ethyl)amino]-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate 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-(dimethylamino)-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate
CID 18080215
benzyl 2,3-dimethyl-1H-indole-5-carboxylate
CID 50888023
(2-benzamido-2-oxoethyl) 2,3-dimethyl-1H-indole-5-carboxylate
CID 9113754
(2-methoxy-2-oxoethyl) 2,3-dimethyl-1H-indole-5-carboxylate
CID 18099294
[2-[benzyl(ethyl)amino]-2-oxoethyl] 3,5-dimethoxybenzoate
CID 18073894
ethyl 3-[[benzyl(methyl)amino]methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylate
CID 1190137
[2-[benzyl(ethyl)amino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 55326340
[2-[benzyl(ethyl)amino]-2-oxoethyl] 4-pyrrol-1-ylbenzoate
CID 18197217
[2-[benzyl(ethyl)amino]-2-oxoethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 18267673
[2-(dibenzylamino)-2-oxoethyl] 4-(2-oxo-2-phenylacetyl)benzoate
CID 2531997
[2-[benzyl(ethyl)amino]-2-oxoethyl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204757
[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate
CID 8850398

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(ethyl)amino]-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate?
The IUPAC name of [2-[benzyl(ethyl)amino]-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate (CID 18080433) is [2-[benzyl(ethyl)amino]-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate.
What is the SMILES notation for [2-[benzyl(ethyl)amino]-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate?
The canonical SMILES for [2-[benzyl(ethyl)amino]-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate is CCN(Cc1ccccc1)C(=O)COC(=O)c1ccc2[nH]c(C)c(C)c2c1.
What is the InChIKey of [2-[benzyl(ethyl)amino]-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate?
The InChIKey is SWGDXYDVYGEMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-4-24(13-17-8-6-5-7-9-17)21(25)14-27-22(26)18-10-11-20-19(12-18)15(2)16(3)23-20/h5-12,23H,4,13-14H2,1-3H3.
What are the key properties of [2-[benzyl(ethyl)amino]-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate?
[2-[benzyl(ethyl)amino]-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate has a molecular weight of 364.45 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(ethyl)amino]-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate is sourced from PubChem (CID 18080433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).