[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 1H-indole-2-carboxylate

C20H20N2O3 — CID 7466205

IUPAC[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 1H-indole-2-carboxylate
SMILESCc1cc(C)c(NC(=O)COC(=O)c2cc3ccccc3[nH]2)c(C)c1
InChIInChI=1S/C20H20N2O3/c1-12-8-13(2)19(14(3)9-12)22-18(23)11-25-20(24)17-10-15-6-4-5-7-16(15)21-17/h4-10,21H,11H2,1-3H3,(H,22,23)
InChIKeyIQLWZAJHRJZXQH-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.89
Rot. Bonds4

About [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 1H-indole-2-carboxylate

[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 1H-indole-2-carboxylate (PubChem CID 7466205) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 1H-indole-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 1H-indole-2-carboxylate
PubChem CID7466205
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 1H-indole-2-carboxylate
SMILESCc1cc(C)c(NC(=O)COC(=O)c2cc3ccccc3[nH]2)c(C)c1
InChIInChI=1S/C20H20N2O3/c1-12-8-13(2)19(14(3)9-12)22-18(23)11-25-20(24)17-10-15-6-4-5-7-16(15)21-17/h4-10,21H,11H2,1-3H3,(H,22,23)
InChIKeyIQLWZAJHRJZXQH-UHFFFAOYSA-N
XLogP3.89
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 1H-indole-2-carboxylate
CID 7466038
[2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 1H-indole-2-carboxylate
CID 7561238
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 1H-indole-2-carboxylate
CID 7723432
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 1H-indole-2-carboxylate
CID 7723461
[2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 1H-indole-2-carboxylate
CID 27269010
ethane;ethyl 1H-indole-2-carboxylate
CID 91376411
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2573652
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 1H-indole-2-carboxylate
CID 7713498
[2-oxo-2-(pentan-2-ylamino)ethyl] 1H-indole-2-carboxylate
CID 18081770
[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] 1H-indole-2-carboxylate
CID 7723034
[2-(cyclopentylamino)-2-oxoethyl] 1H-indole-2-carboxylate
CID 7723573
[2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 1H-indole-2-carboxylate
CID 7466226

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 1H-indole-2-carboxylate?
The IUPAC name of [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 1H-indole-2-carboxylate (CID 7466205) is [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 1H-indole-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 1H-indole-2-carboxylate?
The canonical SMILES for [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 1H-indole-2-carboxylate is Cc1cc(C)c(NC(=O)COC(=O)c2cc3ccccc3[nH]2)c(C)c1.
What is the InChIKey of [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 1H-indole-2-carboxylate?
The InChIKey is IQLWZAJHRJZXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-12-8-13(2)19(14(3)9-12)22-18(23)11-25-20(24)17-10-15-6-4-5-7-16(15)21-17/h4-10,21H,11H2,1-3H3,(H,22,23).
What are the key properties of [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 1H-indole-2-carboxylate?
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 1H-indole-2-carboxylate has a molecular weight of 336.39 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 1H-indole-2-carboxylate is sourced from PubChem (CID 7466205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).