3-(1,4-dioxan-2-ylmethyl)-5-ethyl-5-methyl-2-propan-2-ylimidazolidin-4-one

C14H26N2O3 — CID 83256292

IUPAC3-(1,4-dioxan-2-ylmethyl)-5-ethyl-5-methyl-2-propan-2-ylimidazolidin-4-one
SMILESCCC1(C)NC(C(C)C)N(CC2COCCO2)C1=O
InChIInChI=1S/C14H26N2O3/c1-5-14(4)13(17)16(12(15-14)10(2)3)8-11-9-18-6-7-19-11/h10-12,15H,5-9H2,1-4H3
InChIKeyCDLZHYKUPNBPPR-UHFFFAOYSA-N
MW270.37 g/mol
LogP0.98
Rot. Bonds4

About 3-(1,4-dioxan-2-ylmethyl)-5-ethyl-5-methyl-2-propan-2-ylimidazolidin-4-one

3-(1,4-dioxan-2-ylmethyl)-5-ethyl-5-methyl-2-propan-2-ylimidazolidin-4-one (PubChem CID 83256292) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-(1,4-dioxan-2-ylmethyl)-5-ethyl-5-methyl-2-propan-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-(1,4-dioxan-2-ylmethyl)-5-ethyl-5-methyl-2-propan-2-ylimidazolidin-4-one
PubChem CID83256292
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name3-(1,4-dioxan-2-ylmethyl)-5-ethyl-5-methyl-2-propan-2-ylimidazolidin-4-one
SMILESCCC1(C)NC(C(C)C)N(CC2COCCO2)C1=O
InChIInChI=1S/C14H26N2O3/c1-5-14(4)13(17)16(12(15-14)10(2)3)8-11-9-18-6-7-19-11/h10-12,15H,5-9H2,1-4H3
InChIKeyCDLZHYKUPNBPPR-UHFFFAOYSA-N
XLogP0.98
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-5-methyl-3-(oxolan-2-ylmethyl)-2-propan-2-ylimidazolidin-4-one
CID 83250968
5-ethyl-3-[(4-ethylmorpholin-2-yl)methyl]-5-methyl-2-propan-2-ylimidazolidin-4-one
CID 114401683
5-ethyl-5-methyl-3-[(4-methylcyclohexyl)methyl]-2-propan-2-ylimidazolidin-4-one
CID 83254276
3-(1,4-dioxan-2-ylmethyl)-5-ethyl-5-methylimidazolidin-4-one
CID 83256538
5-ethyl-5-methyl-3-(2-methylpropyl)-2-propan-2-ylimidazolidin-4-one
CID 83243083
5-ethyl-5-methyl-3-(oxan-3-yl)-2-propan-2-ylimidazolidin-4-one
CID 83262917
5-ethyl-5-methyl-3-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-ylimidazolidin-4-one
CID 102916100
5-ethyl-5-methyl-2-propan-2-yl-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one
CID 83252393
5-ethyl-5-methyl-3-(2-methyloxolan-3-yl)-2-propan-2-ylimidazolidin-4-one
CID 83260746
3-(1,4-dioxan-2-ylmethyl)-2-ethyl-5-propan-2-ylimidazolidin-4-one
CID 83255818
3-(1,4-dioxan-2-ylmethyl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83246794
1-(1,4-dioxan-2-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64964078

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dioxan-2-ylmethyl)-5-ethyl-5-methyl-2-propan-2-ylimidazolidin-4-one?
The IUPAC name of 3-(1,4-dioxan-2-ylmethyl)-5-ethyl-5-methyl-2-propan-2-ylimidazolidin-4-one (CID 83256292) is 3-(1,4-dioxan-2-ylmethyl)-5-ethyl-5-methyl-2-propan-2-ylimidazolidin-4-one.
What is the SMILES notation for 3-(1,4-dioxan-2-ylmethyl)-5-ethyl-5-methyl-2-propan-2-ylimidazolidin-4-one?
The canonical SMILES for 3-(1,4-dioxan-2-ylmethyl)-5-ethyl-5-methyl-2-propan-2-ylimidazolidin-4-one is CCC1(C)NC(C(C)C)N(CC2COCCO2)C1=O.
What is the InChIKey of 3-(1,4-dioxan-2-ylmethyl)-5-ethyl-5-methyl-2-propan-2-ylimidazolidin-4-one?
The InChIKey is CDLZHYKUPNBPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-5-14(4)13(17)16(12(15-14)10(2)3)8-11-9-18-6-7-19-11/h10-12,15H,5-9H2,1-4H3.
What are the key properties of 3-(1,4-dioxan-2-ylmethyl)-5-ethyl-5-methyl-2-propan-2-ylimidazolidin-4-one?
3-(1,4-dioxan-2-ylmethyl)-5-ethyl-5-methyl-2-propan-2-ylimidazolidin-4-one has a molecular weight of 270.37 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dioxan-2-ylmethyl)-5-ethyl-5-methyl-2-propan-2-ylimidazolidin-4-one is sourced from PubChem (CID 83256292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).