ethyl 2-[[3-(2-ethoxy-2-oxoethoxy)-2,2,5,5-tetramethyl-4,6-dioxo-1,3-diazinan-1-yl]oxy]acetate

C16H26N2O8 — CID 23732289

IUPACethyl 2-[[3-(2-ethoxy-2-oxoethoxy)-2,2,5,5-tetramethyl-4,6-dioxo-1,3-diazinan-1-yl]oxy]acetate
SMILESCCOC(=O)CON1C(=O)C(C)(C)C(=O)N(OCC(=O)OCC)C1(C)C
InChIInChI=1S/C16H26N2O8/c1-7-23-11(19)9-25-17-13(21)15(3,4)14(22)18(16(17,5)6)26-10-12(20)24-8-2/h7-10H2,1-6H3
InChIKeyIGBCEOWZZXHYJH-UHFFFAOYSA-N
MW374.39 g/mol
LogP0.41
Rot. Bonds8

About ethyl 2-[[3-(2-ethoxy-2-oxoethoxy)-2,2,5,5-tetramethyl-4,6-dioxo-1,3-diazinan-1-yl]oxy]acetate

ethyl 2-[[3-(2-ethoxy-2-oxoethoxy)-2,2,5,5-tetramethyl-4,6-dioxo-1,3-diazinan-1-yl]oxy]acetate (PubChem CID 23732289) has the molecular formula C16H26N2O8 and a molecular weight of 374.39 g/mol. Its IUPAC name is ethyl 2-[[3-(2-ethoxy-2-oxoethoxy)-2,2,5,5-tetramethyl-4,6-dioxo-1,3-diazinan-1-yl]oxy]acetate.

Molecular Properties

Compound Nameethyl 2-[[3-(2-ethoxy-2-oxoethoxy)-2,2,5,5-tetramethyl-4,6-dioxo-1,3-diazinan-1-yl]oxy]acetate
PubChem CID23732289
Molecular FormulaC16H26N2O8
Molecular Weight374.39 g/mol
Exact Mass374.17
IUPAC Nameethyl 2-[[3-(2-ethoxy-2-oxoethoxy)-2,2,5,5-tetramethyl-4,6-dioxo-1,3-diazinan-1-yl]oxy]acetate
SMILESCCOC(=O)CON1C(=O)C(C)(C)C(=O)N(OCC(=O)OCC)C1(C)C
InChIInChI=1S/C16H26N2O8/c1-7-23-11(19)9-25-17-13(21)15(3,4)14(22)18(16(17,5)6)26-10-12(20)24-8-2/h7-10H2,1-6H3
InChIKeyIGBCEOWZZXHYJH-UHFFFAOYSA-N
XLogP0.41
TPSA111.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-(2-ethoxy-2-oxoethoxy)-2,2,5,5-tetramethyl-4,6-dioxo-1,3-diazinan-1-yl]oxy]acetate?
The IUPAC name of ethyl 2-[[3-(2-ethoxy-2-oxoethoxy)-2,2,5,5-tetramethyl-4,6-dioxo-1,3-diazinan-1-yl]oxy]acetate (CID 23732289) is ethyl 2-[[3-(2-ethoxy-2-oxoethoxy)-2,2,5,5-tetramethyl-4,6-dioxo-1,3-diazinan-1-yl]oxy]acetate.
What is the SMILES notation for ethyl 2-[[3-(2-ethoxy-2-oxoethoxy)-2,2,5,5-tetramethyl-4,6-dioxo-1,3-diazinan-1-yl]oxy]acetate?
The canonical SMILES for ethyl 2-[[3-(2-ethoxy-2-oxoethoxy)-2,2,5,5-tetramethyl-4,6-dioxo-1,3-diazinan-1-yl]oxy]acetate is CCOC(=O)CON1C(=O)C(C)(C)C(=O)N(OCC(=O)OCC)C1(C)C.
What is the InChIKey of ethyl 2-[[3-(2-ethoxy-2-oxoethoxy)-2,2,5,5-tetramethyl-4,6-dioxo-1,3-diazinan-1-yl]oxy]acetate?
The InChIKey is IGBCEOWZZXHYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O8/c1-7-23-11(19)9-25-17-13(21)15(3,4)14(22)18(16(17,5)6)26-10-12(20)24-8-2/h7-10H2,1-6H3.
What are the key properties of ethyl 2-[[3-(2-ethoxy-2-oxoethoxy)-2,2,5,5-tetramethyl-4,6-dioxo-1,3-diazinan-1-yl]oxy]acetate?
ethyl 2-[[3-(2-ethoxy-2-oxoethoxy)-2,2,5,5-tetramethyl-4,6-dioxo-1,3-diazinan-1-yl]oxy]acetate has a molecular weight of 374.39 g/mol, XLogP of 0.41, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-(2-ethoxy-2-oxoethoxy)-2,2,5,5-tetramethyl-4,6-dioxo-1,3-diazinan-1-yl]oxy]acetate is sourced from PubChem (CID 23732289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).