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

C13H24N2O3 — CID 83255818

IUPAC3-(1,4-dioxan-2-ylmethyl)-2-ethyl-5-propan-2-ylimidazolidin-4-one
SMILESCCC1NC(C(C)C)C(=O)N1CC1COCCO1
InChIInChI=1S/C13H24N2O3/c1-4-11-14-12(9(2)3)13(16)15(11)7-10-8-17-5-6-18-10/h9-12,14H,4-8H2,1-3H3
InChIKeyQMQACNDMLCGVBN-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.59
Rot. Bonds4

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

3-(1,4-dioxan-2-ylmethyl)-2-ethyl-5-propan-2-ylimidazolidin-4-one (PubChem CID 83255818) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-(1,4-dioxan-2-ylmethyl)-2-ethyl-5-propan-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-(1,4-dioxan-2-ylmethyl)-2-ethyl-5-propan-2-ylimidazolidin-4-one
PubChem CID83255818
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name3-(1,4-dioxan-2-ylmethyl)-2-ethyl-5-propan-2-ylimidazolidin-4-one
SMILESCCC1NC(C(C)C)C(=O)N1CC1COCCO1
InChIInChI=1S/C13H24N2O3/c1-4-11-14-12(9(2)3)13(16)15(11)7-10-8-17-5-6-18-10/h9-12,14H,4-8H2,1-3H3
InChIKeyQMQACNDMLCGVBN-UHFFFAOYSA-N
XLogP0.59
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyl-3-(1,4-dioxan-2-ylmethyl)-5-propan-2-ylimidazolidin-4-one
CID 83246555
2-ethyl-3-[2-(oxolan-2-yl)ethyl]-5-propan-2-ylimidazolidin-4-one
CID 83249092
3-(cyclobutylmethyl)-2-ethyl-5-propan-2-ylimidazolidin-4-one
CID 83243656
3-(1,4-dioxan-2-ylmethyl)-5-propan-2-ylimidazolidin-4-one
CID 83256131
1-(1,4-dioxan-2-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64964078
3-(1,4-dioxan-2-ylmethyl)-5-ethyl-5-methyl-2-propan-2-ylimidazolidin-4-one
CID 83256292
2-ethyl-3-pentyl-5-propan-2-ylimidazolidin-4-one
CID 83250549
2-methyl-3-(oxan-2-ylmethyl)-5-propan-2-ylimidazolidin-4-one
CID 83256490
2-ethyl-5-propan-2-yl-3-(2,2,3-trimethylbutyl)imidazolidin-4-one
CID 114102621
2-ethyl-5-(2-methylpropyl)-3-(oxan-2-ylmethyl)imidazolidin-4-one
CID 83255692
2-cyclopentyl-3-(oxolan-2-ylmethyl)-5-propan-2-ylimidazolidin-4-one
CID 83251558
3-(1,4-dioxan-2-ylmethyl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83246794

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dioxan-2-ylmethyl)-2-ethyl-5-propan-2-ylimidazolidin-4-one?
The IUPAC name of 3-(1,4-dioxan-2-ylmethyl)-2-ethyl-5-propan-2-ylimidazolidin-4-one (CID 83255818) is 3-(1,4-dioxan-2-ylmethyl)-2-ethyl-5-propan-2-ylimidazolidin-4-one.
What is the SMILES notation for 3-(1,4-dioxan-2-ylmethyl)-2-ethyl-5-propan-2-ylimidazolidin-4-one?
The canonical SMILES for 3-(1,4-dioxan-2-ylmethyl)-2-ethyl-5-propan-2-ylimidazolidin-4-one is CCC1NC(C(C)C)C(=O)N1CC1COCCO1.
What is the InChIKey of 3-(1,4-dioxan-2-ylmethyl)-2-ethyl-5-propan-2-ylimidazolidin-4-one?
The InChIKey is QMQACNDMLCGVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-11-14-12(9(2)3)13(16)15(11)7-10-8-17-5-6-18-10/h9-12,14H,4-8H2,1-3H3.
What are the key properties of 3-(1,4-dioxan-2-ylmethyl)-2-ethyl-5-propan-2-ylimidazolidin-4-one?
3-(1,4-dioxan-2-ylmethyl)-2-ethyl-5-propan-2-ylimidazolidin-4-one has a molecular weight of 256.35 g/mol, XLogP of 0.59, 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)-2-ethyl-5-propan-2-ylimidazolidin-4-one is sourced from PubChem (CID 83255818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).