[2-(2-ethoxyanilino)-2-oxoethyl] 1H-pyrrole-2-carboxylate

C15H16N2O4 — CID 8544424

IUPAC[2-(2-ethoxyanilino)-2-oxoethyl] 1H-pyrrole-2-carboxylate
SMILESCCOc1ccccc1NC(=O)COC(=O)c1ccc[nH]1
InChIInChI=1S/C15H16N2O4/c1-2-20-13-8-4-3-6-11(13)17-14(18)10-21-15(19)12-7-5-9-16-12/h3-9,16H,2,10H2,1H3,(H,17,18)
InChIKeyXDCPFSXTVHCLRS-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.21
Rot. Bonds6

About [2-(2-ethoxyanilino)-2-oxoethyl] 1H-pyrrole-2-carboxylate

[2-(2-ethoxyanilino)-2-oxoethyl] 1H-pyrrole-2-carboxylate (PubChem CID 8544424) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is [2-(2-ethoxyanilino)-2-oxoethyl] 1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Name[2-(2-ethoxyanilino)-2-oxoethyl] 1H-pyrrole-2-carboxylate
PubChem CID8544424
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name[2-(2-ethoxyanilino)-2-oxoethyl] 1H-pyrrole-2-carboxylate
SMILESCCOc1ccccc1NC(=O)COC(=O)c1ccc[nH]1
InChIInChI=1S/C15H16N2O4/c1-2-20-13-8-4-3-6-11(13)17-14(18)10-21-15(19)12-7-5-9-16-12/h3-9,16H,2,10H2,1H3,(H,17,18)
InChIKeyXDCPFSXTVHCLRS-UHFFFAOYSA-N
XLogP2.21
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(2-ethoxyanilino)-2-oxoethyl] 1H-pyrrole-2-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-(2-methylanilino)-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8543923
[2-(2-ethoxyanilino)-2-oxoethyl] 4-acetyl-1H-pyrrole-2-carboxylate
CID 9385469
[2-(2-methylsulfonylanilino)-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 9310726
3-O-[2-(2-ethoxyanilino)-2-oxoethyl] 1-O-methyl benzene-1,3-dicarboxylate
CID 46860631
[2-(2-ethoxyanilino)-2-oxoethyl] 2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylbenzoate
CID 3503829
[2-(2-ethoxyanilino)-2-oxoethyl] 3-acetylbenzoate
CID 46860693
[2-(2-ethoxyanilino)-2-oxoethyl] 4-methylsulfanylbenzoate
CID 8507923
[2-(2-ethoxyanilino)-2-oxoethyl] thiophene-3-carboxylate
CID 17423219
[2-(2-ethoxyanilino)-2-oxoethyl] 4,5-dibromothiophene-2-carboxylate
CID 35987517
[2-(2-ethoxyanilino)-2-oxoethyl] 2-phenylmethoxybenzoate
CID 2605845
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8544216
[2-(2-ethoxyanilino)-2-oxoethyl] 2-ethylsulfonylbenzoate
CID 8855243

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl] 1H-pyrrole-2-carboxylate?
The IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl] 1H-pyrrole-2-carboxylate (CID 8544424) is [2-(2-ethoxyanilino)-2-oxoethyl] 1H-pyrrole-2-carboxylate.
What is the SMILES notation for [2-(2-ethoxyanilino)-2-oxoethyl] 1H-pyrrole-2-carboxylate?
The canonical SMILES for [2-(2-ethoxyanilino)-2-oxoethyl] 1H-pyrrole-2-carboxylate is CCOc1ccccc1NC(=O)COC(=O)c1ccc[nH]1.
What is the InChIKey of [2-(2-ethoxyanilino)-2-oxoethyl] 1H-pyrrole-2-carboxylate?
The InChIKey is XDCPFSXTVHCLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-2-20-13-8-4-3-6-11(13)17-14(18)10-21-15(19)12-7-5-9-16-12/h3-9,16H,2,10H2,1H3,(H,17,18).
What are the key properties of [2-(2-ethoxyanilino)-2-oxoethyl] 1H-pyrrole-2-carboxylate?
[2-(2-ethoxyanilino)-2-oxoethyl] 1H-pyrrole-2-carboxylate has a molecular weight of 288.30 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethoxyanilino)-2-oxoethyl] 1H-pyrrole-2-carboxylate is sourced from PubChem (CID 8544424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).