[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate

C18H22N2O6 — CID 7825476

IUPAC[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
SMILESCc1cc(C)c(NC(=O)CNC(=O)COC(=O)C2=COCCO2)c(C)c1
InChIInChI=1S/C18H22N2O6/c1-11-6-12(2)17(13(3)7-11)20-15(21)8-19-16(22)10-26-18(23)14-9-24-4-5-25-14/h6-7,9H,4-5,8,10H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyGWFJZHHOZFENHE-UHFFFAOYSA-N
MW362.38 g/mol
LogP1.10
Rot. Bonds6

About [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate

[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate (PubChem CID 7825476) has the molecular formula C18H22N2O6 and a molecular weight of 362.38 g/mol. Its IUPAC name is [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
PubChem CID7825476
Molecular FormulaC18H22N2O6
Molecular Weight362.38 g/mol
Exact Mass362.15
IUPAC Name[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
SMILESCc1cc(C)c(NC(=O)CNC(=O)COC(=O)C2=COCCO2)c(C)c1
InChIInChI=1S/C18H22N2O6/c1-11-6-12(2)17(13(3)7-11)20-15(21)8-19-16(22)10-26-18(23)14-9-24-4-5-25-14/h6-7,9H,4-5,8,10H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyGWFJZHHOZFENHE-UHFFFAOYSA-N
XLogP1.10
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate?
The IUPAC name of [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate (CID 7825476) is [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate.
What is the SMILES notation for [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate?
The canonical SMILES for [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate is Cc1cc(C)c(NC(=O)CNC(=O)COC(=O)C2=COCCO2)c(C)c1.
What is the InChIKey of [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate?
The InChIKey is GWFJZHHOZFENHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O6/c1-11-6-12(2)17(13(3)7-11)20-15(21)8-19-16(22)10-26-18(23)14-9-24-4-5-25-14/h6-7,9H,4-5,8,10H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of [2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate?
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate has a molecular weight of 362.38 g/mol, XLogP of 1.10, 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] 2,3-dihydro-1,4-dioxine-5-carboxylate is sourced from PubChem (CID 7825476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).