[2-(2-ethoxyanilino)-2-oxoethyl] 1H-indole-3-carboxylate

C19H18N2O4 — CID 7492795

IUPAC[2-(2-ethoxyanilino)-2-oxoethyl] 1H-indole-3-carboxylate
SMILESCCOc1ccccc1NC(=O)COC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C19H18N2O4/c1-2-24-17-10-6-5-9-16(17)21-18(22)12-25-19(23)14-11-20-15-8-4-3-7-13(14)15/h3-11,20H,2,12H2,1H3,(H,21,22)
InChIKeyWUOUIENNVUGIIM-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.36
Rot. Bonds6

About [2-(2-ethoxyanilino)-2-oxoethyl] 1H-indole-3-carboxylate

[2-(2-ethoxyanilino)-2-oxoethyl] 1H-indole-3-carboxylate (PubChem CID 7492795) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is [2-(2-ethoxyanilino)-2-oxoethyl] 1H-indole-3-carboxylate.

Molecular Properties

Compound Name[2-(2-ethoxyanilino)-2-oxoethyl] 1H-indole-3-carboxylate
PubChem CID7492795
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name[2-(2-ethoxyanilino)-2-oxoethyl] 1H-indole-3-carboxylate
SMILESCCOc1ccccc1NC(=O)COC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C19H18N2O4/c1-2-24-17-10-6-5-9-16(17)21-18(22)12-25-19(23)14-11-20-15-8-4-3-7-13(14)15/h3-11,20H,2,12H2,1H3,(H,21,22)
InChIKeyWUOUIENNVUGIIM-UHFFFAOYSA-N
XLogP3.36
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl] 1H-indole-3-carboxylate?
The IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl] 1H-indole-3-carboxylate (CID 7492795) is [2-(2-ethoxyanilino)-2-oxoethyl] 1H-indole-3-carboxylate.
What is the SMILES notation for [2-(2-ethoxyanilino)-2-oxoethyl] 1H-indole-3-carboxylate?
The canonical SMILES for [2-(2-ethoxyanilino)-2-oxoethyl] 1H-indole-3-carboxylate is CCOc1ccccc1NC(=O)COC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of [2-(2-ethoxyanilino)-2-oxoethyl] 1H-indole-3-carboxylate?
The InChIKey is WUOUIENNVUGIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-2-24-17-10-6-5-9-16(17)21-18(22)12-25-19(23)14-11-20-15-8-4-3-7-13(14)15/h3-11,20H,2,12H2,1H3,(H,21,22).
What are the key properties of [2-(2-ethoxyanilino)-2-oxoethyl] 1H-indole-3-carboxylate?
[2-(2-ethoxyanilino)-2-oxoethyl] 1H-indole-3-carboxylate has a molecular weight of 338.36 g/mol, XLogP of 3.36, 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-indole-3-carboxylate is sourced from PubChem (CID 7492795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).