[2-(3-ethylanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate

C20H17NO5 — CID 4803225

IUPAC[2-(3-ethylanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate
SMILESCCc1cccc(NC(=O)COC(=O)c2cc(=O)c3ccccc3o2)c1
InChIInChI=1S/C20H17NO5/c1-2-13-6-5-7-14(10-13)21-19(23)12-25-20(24)18-11-16(22)15-8-3-4-9-17(15)26-18/h3-11H,2,12H2,1H3,(H,21,23)
InChIKeyNOGBFWNPWJAQNH-UHFFFAOYSA-N
MW351.36 g/mol
LogP3.15
Rot. Bonds5

About [2-(3-ethylanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate

[2-(3-ethylanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate (PubChem CID 4803225) has the molecular formula C20H17NO5 and a molecular weight of 351.36 g/mol. Its IUPAC name is [2-(3-ethylanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate.

Molecular Properties

Compound Name[2-(3-ethylanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate
PubChem CID4803225
Molecular FormulaC20H17NO5
Molecular Weight351.36 g/mol
Exact Mass351.11
IUPAC Name[2-(3-ethylanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate
SMILESCCc1cccc(NC(=O)COC(=O)c2cc(=O)c3ccccc3o2)c1
InChIInChI=1S/C20H17NO5/c1-2-13-6-5-7-14(10-13)21-19(23)12-25-20(24)18-11-16(22)15-8-3-4-9-17(15)26-18/h3-11H,2,12H2,1H3,(H,21,23)
InChIKeyNOGBFWNPWJAQNH-UHFFFAOYSA-N
XLogP3.15
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(3-ethylanilino)-2-oxoethyl] 4-oxochromene-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

Frequently Asked Questions

What is the IUPAC name of [2-(3-ethylanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate?
The IUPAC name of [2-(3-ethylanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate (CID 4803225) is [2-(3-ethylanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate.
What is the SMILES notation for [2-(3-ethylanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate?
The canonical SMILES for [2-(3-ethylanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate is CCc1cccc(NC(=O)COC(=O)c2cc(=O)c3ccccc3o2)c1.
What is the InChIKey of [2-(3-ethylanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate?
The InChIKey is NOGBFWNPWJAQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO5/c1-2-13-6-5-7-14(10-13)21-19(23)12-25-20(24)18-11-16(22)15-8-3-4-9-17(15)26-18/h3-11H,2,12H2,1H3,(H,21,23).
What are the key properties of [2-(3-ethylanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate?
[2-(3-ethylanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate has a molecular weight of 351.36 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-ethylanilino)-2-oxoethyl] 4-oxochromene-2-carboxylate is sourced from PubChem (CID 4803225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).