[2-(2,6-diethylanilino)-2-oxoethyl] 1-methylindole-3-carboxylate

C22H24N2O3 — CID 8816197

IUPAC[2-(2,6-diethylanilino)-2-oxoethyl] 1-methylindole-3-carboxylate
SMILESCCc1cccc(CC)c1NC(=O)COC(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C22H24N2O3/c1-4-15-9-8-10-16(5-2)21(15)23-20(25)14-27-22(26)18-13-24(3)19-12-7-6-11-17(18)19/h6-13H,4-5,14H2,1-3H3,(H,23,25)
InChIKeyXPNQCOJUHRYDSN-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.10
Rot. Bonds6

About [2-(2,6-diethylanilino)-2-oxoethyl] 1-methylindole-3-carboxylate

[2-(2,6-diethylanilino)-2-oxoethyl] 1-methylindole-3-carboxylate (PubChem CID 8816197) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is [2-(2,6-diethylanilino)-2-oxoethyl] 1-methylindole-3-carboxylate.

Molecular Properties

Compound Name[2-(2,6-diethylanilino)-2-oxoethyl] 1-methylindole-3-carboxylate
PubChem CID8816197
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name[2-(2,6-diethylanilino)-2-oxoethyl] 1-methylindole-3-carboxylate
SMILESCCc1cccc(CC)c1NC(=O)COC(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C22H24N2O3/c1-4-15-9-8-10-16(5-2)21(15)23-20(25)14-27-22(26)18-13-24(3)19-12-7-6-11-17(18)19/h6-13H,4-5,14H2,1-3H3,(H,23,25)
InChIKeyXPNQCOJUHRYDSN-UHFFFAOYSA-N
XLogP4.10
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 1-methylindole-3-carboxylate
CID 8816511
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 1-methylindole-3-carboxylate
CID 8816055
[2-(2,4-difluoroanilino)-2-oxoethyl] 1-methylindole-3-carboxylate
CID 18776513
[2-(4-nitroanilino)-2-oxoethyl] 1-methylindole-3-carboxylate
CID 8816265
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 1-methylindole-3-carboxylate
CID 8817073
[2-(cyclooctylamino)-2-oxoethyl] 1-methylindole-3-carboxylate
CID 27571304
[2-(2,6-diethylanilino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 7747216
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 1-methylindole-3-carboxylate
CID 33457652
[2-[[(3R)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 1-methylindole-3-carboxylate
CID 8817472
[2-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylamino]-2-oxoethyl] 1-methylindole-3-carboxylate
CID 8816562
[2-[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethyl] 1-methylindole-3-carboxylate
CID 8817273
[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 1-methylindole-3-carboxylate
CID 40703975

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-diethylanilino)-2-oxoethyl] 1-methylindole-3-carboxylate?
The IUPAC name of [2-(2,6-diethylanilino)-2-oxoethyl] 1-methylindole-3-carboxylate (CID 8816197) is [2-(2,6-diethylanilino)-2-oxoethyl] 1-methylindole-3-carboxylate.
What is the SMILES notation for [2-(2,6-diethylanilino)-2-oxoethyl] 1-methylindole-3-carboxylate?
The canonical SMILES for [2-(2,6-diethylanilino)-2-oxoethyl] 1-methylindole-3-carboxylate is CCc1cccc(CC)c1NC(=O)COC(=O)c1cn(C)c2ccccc12.
What is the InChIKey of [2-(2,6-diethylanilino)-2-oxoethyl] 1-methylindole-3-carboxylate?
The InChIKey is XPNQCOJUHRYDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-4-15-9-8-10-16(5-2)21(15)23-20(25)14-27-22(26)18-13-24(3)19-12-7-6-11-17(18)19/h6-13H,4-5,14H2,1-3H3,(H,23,25).
What are the key properties of [2-(2,6-diethylanilino)-2-oxoethyl] 1-methylindole-3-carboxylate?
[2-(2,6-diethylanilino)-2-oxoethyl] 1-methylindole-3-carboxylate has a molecular weight of 364.45 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-diethylanilino)-2-oxoethyl] 1-methylindole-3-carboxylate is sourced from PubChem (CID 8816197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).