[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 3-chloro-1H-indole-2-carboxylate

C22H22ClN3O4 — CID 55704160

IUPAC[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 3-chloro-1H-indole-2-carboxylate
SMILESCc1cc(C)c(NC(=O)CNC(=O)COC(=O)c2[nH]c3ccccc3c2Cl)c(C)c1
InChIInChI=1S/C22H22ClN3O4/c1-12-8-13(2)20(14(3)9-12)26-17(27)10-24-18(28)11-30-22(29)21-19(23)15-6-4-5-7-16(15)25-21/h4-9,25H,10-11H2,1-3H3,(H,24,28)(H,26,27)
InChIKeyNTKNJMIRDLLABG-UHFFFAOYSA-N
MW427.89 g/mol
LogP3.66
Rot. Bonds6

About [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 3-chloro-1H-indole-2-carboxylate

[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 3-chloro-1H-indole-2-carboxylate (PubChem CID 55704160) has the molecular formula C22H22ClN3O4 and a molecular weight of 427.89 g/mol. Its IUPAC name is [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 3-chloro-1H-indole-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 3-chloro-1H-indole-2-carboxylate
PubChem CID55704160
Molecular FormulaC22H22ClN3O4
Molecular Weight427.89 g/mol
Exact Mass427.13
IUPAC Name[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 3-chloro-1H-indole-2-carboxylate
SMILESCc1cc(C)c(NC(=O)CNC(=O)COC(=O)c2[nH]c3ccccc3c2Cl)c(C)c1
InChIInChI=1S/C22H22ClN3O4/c1-12-8-13(2)20(14(3)9-12)26-17(27)10-24-18(28)11-30-22(29)21-19(23)15-6-4-5-7-16(15)25-21/h4-9,25H,10-11H2,1-3H3,(H,24,28)(H,26,27)
InChIKeyNTKNJMIRDLLABG-UHFFFAOYSA-N
XLogP3.66
TPSA100.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.89
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 3-chloro-1H-indole-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 7761777
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 3-chloro-1-benzothiophene-2-carboxylate
CID 16528482
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-chlorobenzoate
CID 7483934
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2573652
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-methylbenzoate
CID 7695929
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-phenylbenzoate
CID 42980133
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] pyridine-2-carboxylate
CID 7477161
[2-(4-hydroxyanilino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate
CID 46459679
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 1H-indole-2-carboxylate
CID 7466205
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate
CID 55703991
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 1H-indole-2-carboxylate
CID 7466038
[2-(3,4-diethoxyanilino)-2-oxoethyl] 3-chloro-1H-indole-2-carboxylate
CID 55704162

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 3-chloro-1H-indole-2-carboxylate?
The IUPAC name of [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 3-chloro-1H-indole-2-carboxylate (CID 55704160) is [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 3-chloro-1H-indole-2-carboxylate.
What is the SMILES notation for [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 3-chloro-1H-indole-2-carboxylate?
The canonical SMILES for [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 3-chloro-1H-indole-2-carboxylate is Cc1cc(C)c(NC(=O)CNC(=O)COC(=O)c2[nH]c3ccccc3c2Cl)c(C)c1.
What is the InChIKey of [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 3-chloro-1H-indole-2-carboxylate?
The InChIKey is NTKNJMIRDLLABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O4/c1-12-8-13(2)20(14(3)9-12)26-17(27)10-24-18(28)11-30-22(29)21-19(23)15-6-4-5-7-16(15)25-21/h4-9,25H,10-11H2,1-3H3,(H,24,28)(H,26,27).
What are the key properties of [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 3-chloro-1H-indole-2-carboxylate?
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 3-chloro-1H-indole-2-carboxylate has a molecular weight of 427.89 g/mol, XLogP of 3.66, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 3-chloro-1H-indole-2-carboxylate is sourced from PubChem (CID 55704160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).