[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate

C21H24N2O6 — CID 33274738

IUPAC[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate
SMILESCc1cc(C)c(NC(=O)CNC(=O)COC(=O)c2c(C)cc(=O)oc2C)c(C)c1
InChIInChI=1S/C21H24N2O6/c1-11-6-13(3)20(14(4)7-11)23-16(24)9-22-17(25)10-28-21(27)19-12(2)8-18(26)29-15(19)5/h6-8H,9-10H2,1-5H3,(H,22,25)(H,23,24)
InChIKeyDXGXFLJPJULVAM-UHFFFAOYSA-N
MW400.43 g/mol
LogP2.09
Rot. Bonds6

About [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate

[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate (PubChem CID 33274738) has the molecular formula C21H24N2O6 and a molecular weight of 400.43 g/mol. Its IUPAC name is [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate
PubChem CID33274738
Molecular FormulaC21H24N2O6
Molecular Weight400.43 g/mol
Exact Mass400.16
IUPAC Name[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate
SMILESCc1cc(C)c(NC(=O)CNC(=O)COC(=O)c2c(C)cc(=O)oc2C)c(C)c1
InChIInChI=1S/C21H24N2O6/c1-11-6-13(3)20(14(4)7-11)23-16(24)9-22-17(25)10-28-21(27)19-12(2)8-18(26)29-15(19)5/h6-8H,9-10H2,1-5H3,(H,22,25)(H,23,24)
InChIKeyDXGXFLJPJULVAM-UHFFFAOYSA-N
XLogP2.09
TPSA114.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2,4-dimethyl-6-oxopyran-3-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] 4-methylbenzoate
CID 7695929
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-phenylbenzoate
CID 42980133
[2-(2-bromo-4-methylanilino)-2-oxoethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate
CID 24533769
[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate
CID 33276175
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-chlorobenzoate
CID 7483934
[2-(4-acetylanilino)-2-oxoethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate
CID 24533770
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2-hydroxy-5-methylbenzoate
CID 40933179
[2-(5-fluoro-2-methylanilino)-2-oxoethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate
CID 18123459
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-formylbenzoate
CID 7669047
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 1-hydroxycyclopentane-1-carboxylate
CID 55701441
[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2,4,6-trimethylbenzoate
CID 7473058
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 4-methylsulfonylbenzoate
CID 55310625

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate?
The IUPAC name of [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate (CID 33274738) is [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate.
What is the SMILES notation for [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate?
The canonical SMILES for [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate is Cc1cc(C)c(NC(=O)CNC(=O)COC(=O)c2c(C)cc(=O)oc2C)c(C)c1.
What is the InChIKey of [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate?
The InChIKey is DXGXFLJPJULVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O6/c1-11-6-13(3)20(14(4)7-11)23-16(24)9-22-17(25)10-28-21(27)19-12(2)8-18(26)29-15(19)5/h6-8H,9-10H2,1-5H3,(H,22,25)(H,23,24).
What are the key properties of [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate?
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2,4-dimethyl-6-oxopyran-3-carboxylate has a molecular weight of 400.43 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 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] 2,4-dimethyl-6-oxopyran-3-carboxylate is sourced from PubChem (CID 33274738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).