ethyl 4-[2-(1H-indol-3-yl)ethylcarbamoylamino]benzoate

C20H21N3O3 — CID 3294700

IUPACethyl 4-[2-(1H-indol-3-yl)ethylcarbamoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)NCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C20H21N3O3/c1-2-26-19(24)14-7-9-16(10-8-14)23-20(25)21-12-11-15-13-22-18-6-4-3-5-17(15)18/h3-10,13,22H,2,11-12H2,1H3,(H2,21,23,25)
InChIKeyFNRVHOOKCZBOPU-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.71
Rot. Bonds6

About ethyl 4-[2-(1H-indol-3-yl)ethylcarbamoylamino]benzoate

ethyl 4-[2-(1H-indol-3-yl)ethylcarbamoylamino]benzoate (PubChem CID 3294700) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is ethyl 4-[2-(1H-indol-3-yl)ethylcarbamoylamino]benzoate.

Molecular Properties

Compound Nameethyl 4-[2-(1H-indol-3-yl)ethylcarbamoylamino]benzoate
PubChem CID3294700
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Nameethyl 4-[2-(1H-indol-3-yl)ethylcarbamoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)NCCc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C20H21N3O3/c1-2-26-19(24)14-7-9-16(10-8-14)23-20(25)21-12-11-15-13-22-18-6-4-3-5-17(15)18/h3-10,13,22H,2,11-12H2,1H3,(H2,21,23,25)
InChIKeyFNRVHOOKCZBOPU-UHFFFAOYSA-N
XLogP3.71
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze ethyl 4-[2-(1H-indol-3-yl)ethylcarbamoylamino]benzoate 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

ethyl 4-[[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]amino]benzoate
CID 109027473
1-[2-(1H-indol-3-yl)ethyl]-3-(4-sulfamoylphenyl)urea
CID 24650587
1-(4-ethoxy-3-fluorophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 166188124
ethyl 2-[2-(1H-indol-3-yl)ethylamino]-2-oxoacetate
CID 28710187
1-[2-(1H-indol-3-yl)ethyl]-3-(4-nitrophenyl)urea
CID 4584277
1-[2-(1H-indol-3-yl)ethyl]-3-(3,4,5-trihydroxyphenyl)urea
CID 108871937
1-[2-(1H-indol-3-yl)ethyl]-3-(2-methylphenyl)urea
CID 2238398
methyl N-[3-[2-(1H-indol-3-yl)ethylcarbamoylamino]phenyl]carbamate
CID 51118943
1-(2,3-dimethylquinoxalin-6-yl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108885678
1-(3,5-dibromophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 155514959
1-(3,5-difluorophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 20757249
1-(4-ethylphenyl)-3-[2-(1H-indol-3-yl)ethyl]thiourea
CID 7962474

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(1H-indol-3-yl)ethylcarbamoylamino]benzoate?
The IUPAC name of ethyl 4-[2-(1H-indol-3-yl)ethylcarbamoylamino]benzoate (CID 3294700) is ethyl 4-[2-(1H-indol-3-yl)ethylcarbamoylamino]benzoate.
What is the SMILES notation for ethyl 4-[2-(1H-indol-3-yl)ethylcarbamoylamino]benzoate?
The canonical SMILES for ethyl 4-[2-(1H-indol-3-yl)ethylcarbamoylamino]benzoate is CCOC(=O)c1ccc(NC(=O)NCCc2c[nH]c3ccccc23)cc1.
What is the InChIKey of ethyl 4-[2-(1H-indol-3-yl)ethylcarbamoylamino]benzoate?
The InChIKey is FNRVHOOKCZBOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-2-26-19(24)14-7-9-16(10-8-14)23-20(25)21-12-11-15-13-22-18-6-4-3-5-17(15)18/h3-10,13,22H,2,11-12H2,1H3,(H2,21,23,25).
What are the key properties of ethyl 4-[2-(1H-indol-3-yl)ethylcarbamoylamino]benzoate?
ethyl 4-[2-(1H-indol-3-yl)ethylcarbamoylamino]benzoate has a molecular weight of 351.41 g/mol, XLogP of 3.71, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(1H-indol-3-yl)ethylcarbamoylamino]benzoate is sourced from PubChem (CID 3294700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).