[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] pyrazine-2-carboxylate

C21H19N3O4 — CID 24980782

IUPAC[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] pyrazine-2-carboxylate
SMILESCCOc1ccccc1NC(=O)C(OC(=O)c1cnccn1)c1ccccc1
InChIInChI=1S/C21H19N3O4/c1-2-27-18-11-7-6-10-16(18)24-20(25)19(15-8-4-3-5-9-15)28-21(26)17-14-22-12-13-23-17/h3-14,19H,2H2,1H3,(H,24,25)
InChIKeyWRVIWWMCSSKFLI-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.41
Rot. Bonds7

About [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] pyrazine-2-carboxylate

[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] pyrazine-2-carboxylate (PubChem CID 24980782) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] pyrazine-2-carboxylate.

Molecular Properties

Compound Name[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] pyrazine-2-carboxylate
PubChem CID24980782
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Name[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] pyrazine-2-carboxylate
SMILESCCOc1ccccc1NC(=O)C(OC(=O)c1cnccn1)c1ccccc1
InChIInChI=1S/C21H19N3O4/c1-2-27-18-11-7-6-10-16(18)24-20(25)19(15-8-4-3-5-9-15)28-21(26)17-14-22-12-13-23-17/h3-14,19H,2H2,1H3,(H,24,25)
InChIKeyWRVIWWMCSSKFLI-UHFFFAOYSA-N
XLogP3.41
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] pyrazine-2-carboxylate?
The IUPAC name of [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] pyrazine-2-carboxylate (CID 24980782) is [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] pyrazine-2-carboxylate.
What is the SMILES notation for [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] pyrazine-2-carboxylate?
The canonical SMILES for [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] pyrazine-2-carboxylate is CCOc1ccccc1NC(=O)C(OC(=O)c1cnccn1)c1ccccc1.
What is the InChIKey of [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] pyrazine-2-carboxylate?
The InChIKey is WRVIWWMCSSKFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-2-27-18-11-7-6-10-16(18)24-20(25)19(15-8-4-3-5-9-15)28-21(26)17-14-22-12-13-23-17/h3-14,19H,2H2,1H3,(H,24,25).
What are the key properties of [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] pyrazine-2-carboxylate?
[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] pyrazine-2-carboxylate has a molecular weight of 377.40 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] pyrazine-2-carboxylate is sourced from PubChem (CID 24980782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).