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

C18H16N2O4 — CID 7888866

IUPAC[2-(2-methoxyanilino)-2-oxoethyl] 1H-indole-3-carboxylate
SMILESCOc1ccccc1NC(=O)COC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C18H16N2O4/c1-23-16-9-5-4-8-15(16)20-17(21)11-24-18(22)13-10-19-14-7-3-2-6-12(13)14/h2-10,19H,11H2,1H3,(H,20,21)
InChIKeyQQJQBTMEDWKDKJ-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.97
Rot. Bonds5

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

[2-(2-methoxyanilino)-2-oxoethyl] 1H-indole-3-carboxylate (PubChem CID 7888866) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is [2-(2-methoxyanilino)-2-oxoethyl] 1H-indole-3-carboxylate.

Molecular Properties

Compound Name[2-(2-methoxyanilino)-2-oxoethyl] 1H-indole-3-carboxylate
PubChem CID7888866
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name[2-(2-methoxyanilino)-2-oxoethyl] 1H-indole-3-carboxylate
SMILESCOc1ccccc1NC(=O)COC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C18H16N2O4/c1-23-16-9-5-4-8-15(16)20-17(21)11-24-18(22)13-10-19-14-7-3-2-6-12(13)14/h2-10,19H,11H2,1H3,(H,20,21)
InChIKeyQQJQBTMEDWKDKJ-UHFFFAOYSA-N
XLogP2.97
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyanilino)-2-oxoethyl] 1H-indole-3-carboxylate?
The IUPAC name of [2-(2-methoxyanilino)-2-oxoethyl] 1H-indole-3-carboxylate (CID 7888866) is [2-(2-methoxyanilino)-2-oxoethyl] 1H-indole-3-carboxylate.
What is the SMILES notation for [2-(2-methoxyanilino)-2-oxoethyl] 1H-indole-3-carboxylate?
The canonical SMILES for [2-(2-methoxyanilino)-2-oxoethyl] 1H-indole-3-carboxylate is COc1ccccc1NC(=O)COC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of [2-(2-methoxyanilino)-2-oxoethyl] 1H-indole-3-carboxylate?
The InChIKey is QQJQBTMEDWKDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-23-16-9-5-4-8-15(16)20-17(21)11-24-18(22)13-10-19-14-7-3-2-6-12(13)14/h2-10,19H,11H2,1H3,(H,20,21).
What are the key properties of [2-(2-methoxyanilino)-2-oxoethyl] 1H-indole-3-carboxylate?
[2-(2-methoxyanilino)-2-oxoethyl] 1H-indole-3-carboxylate has a molecular weight of 324.34 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyanilino)-2-oxoethyl] 1H-indole-3-carboxylate is sourced from PubChem (CID 7888866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).