[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 1-tert-butylimidazole-4-carboxylate

C20H23N3O3 — CID 166338062

IUPAC[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 1-tert-butylimidazole-4-carboxylate
SMILESCCc1cccc2c(C(=O)COC(=O)c3cn(C(C)(C)C)cn3)c[nH]c12
InChIInChI=1S/C20H23N3O3/c1-5-13-7-6-8-14-15(9-21-18(13)14)17(24)11-26-19(25)16-10-23(12-22-16)20(2,3)4/h6-10,12,21H,5,11H2,1-4H3
InChIKeyVJNHMHAHTCVWNY-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.72
Rot. Bonds5

About [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 1-tert-butylimidazole-4-carboxylate

[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 1-tert-butylimidazole-4-carboxylate (PubChem CID 166338062) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 1-tert-butylimidazole-4-carboxylate.

Molecular Properties

Compound Name[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 1-tert-butylimidazole-4-carboxylate
PubChem CID166338062
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 1-tert-butylimidazole-4-carboxylate
SMILESCCc1cccc2c(C(=O)COC(=O)c3cn(C(C)(C)C)cn3)c[nH]c12
InChIInChI=1S/C20H23N3O3/c1-5-13-7-6-8-14-15(9-21-18(13)14)17(24)11-26-19(25)16-10-23(12-22-16)20(2,3)4/h6-10,12,21H,5,11H2,1-4H3
InChIKeyVJNHMHAHTCVWNY-UHFFFAOYSA-N
XLogP3.72
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 1-tert-butylimidazole-4-carboxylate?
The IUPAC name of [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 1-tert-butylimidazole-4-carboxylate (CID 166338062) is [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 1-tert-butylimidazole-4-carboxylate.
What is the SMILES notation for [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 1-tert-butylimidazole-4-carboxylate?
The canonical SMILES for [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 1-tert-butylimidazole-4-carboxylate is CCc1cccc2c(C(=O)COC(=O)c3cn(C(C)(C)C)cn3)c[nH]c12.
What is the InChIKey of [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 1-tert-butylimidazole-4-carboxylate?
The InChIKey is VJNHMHAHTCVWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-5-13-7-6-8-14-15(9-21-18(13)14)17(24)11-26-19(25)16-10-23(12-22-16)20(2,3)4/h6-10,12,21H,5,11H2,1-4H3.
What are the key properties of [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 1-tert-butylimidazole-4-carboxylate?
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 1-tert-butylimidazole-4-carboxylate has a molecular weight of 353.42 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 1-tert-butylimidazole-4-carboxylate is sourced from PubChem (CID 166338062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).