3-(1-ethoxypropan-2-yl)-5-methyl-2-(2-methylpropyl)imidazolidin-4-one

C13H26N2O2 — CID 83246924

IUPAC3-(1-ethoxypropan-2-yl)-5-methyl-2-(2-methylpropyl)imidazolidin-4-one
SMILESCCOCC(C)N1C(=O)C(C)NC1CC(C)C
InChIInChI=1S/C13H26N2O2/c1-6-17-8-10(4)15-12(7-9(2)3)14-11(5)13(15)16/h9-12,14H,6-8H2,1-5H3
InChIKeyVVAGJTDTCVLUDZ-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.60
Rot. Bonds6

About 3-(1-ethoxypropan-2-yl)-5-methyl-2-(2-methylpropyl)imidazolidin-4-one

3-(1-ethoxypropan-2-yl)-5-methyl-2-(2-methylpropyl)imidazolidin-4-one (PubChem CID 83246924) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-(1-ethoxypropan-2-yl)-5-methyl-2-(2-methylpropyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-(1-ethoxypropan-2-yl)-5-methyl-2-(2-methylpropyl)imidazolidin-4-one
PubChem CID83246924
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3-(1-ethoxypropan-2-yl)-5-methyl-2-(2-methylpropyl)imidazolidin-4-one
SMILESCCOCC(C)N1C(=O)C(C)NC1CC(C)C
InChIInChI=1S/C13H26N2O2/c1-6-17-8-10(4)15-12(7-9(2)3)14-11(5)13(15)16/h9-12,14H,6-8H2,1-5H3
InChIKeyVVAGJTDTCVLUDZ-UHFFFAOYSA-N
XLogP1.60
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-butan-2-yl-3-(1-ethoxypropan-2-yl)-2-(2-methylpropyl)imidazolidin-4-one
CID 83245364
3-(1-ethoxypropan-2-yl)-2-methyl-5-(2-methylpropyl)imidazolidin-4-one
CID 83246403
3-ethyl-5-methyl-2-(2-methylpropyl)imidazolidin-4-one
CID 83239439
3-(2-ethoxyethyl)-5-methyl-2-(2-methylpropyl)imidazolidin-4-one
CID 83236846
5-butan-2-yl-3-(1-ethoxypropan-2-yl)-2-propylimidazolidin-4-one
CID 83247716
3-(2,3-dimethylbutyl)-5-methyl-2-(2-methylpropyl)imidazolidin-4-one
CID 83258725
3-hexyl-5-methyl-2-(2-methylpropyl)imidazolidin-4-one
CID 83265031
5-methyl-2-(2-methylpropyl)-3-(2-propan-2-yloxyethyl)imidazolidin-4-one
CID 104767663
1-(1-ethoxypropan-2-yl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 64967279
3-(2,2-dicyclopropylethyl)-5-methyl-2-(2-methylpropyl)imidazolidin-4-one
CID 83258681
2-(2-methylpropyl)-3-pentan-2-yl-5-propan-2-ylimidazolidin-4-one
CID 83238813
3-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-methyl-2-(2-methylpropyl)imidazolidin-4-one
CID 83238792

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxypropan-2-yl)-5-methyl-2-(2-methylpropyl)imidazolidin-4-one?
The IUPAC name of 3-(1-ethoxypropan-2-yl)-5-methyl-2-(2-methylpropyl)imidazolidin-4-one (CID 83246924) is 3-(1-ethoxypropan-2-yl)-5-methyl-2-(2-methylpropyl)imidazolidin-4-one.
What is the SMILES notation for 3-(1-ethoxypropan-2-yl)-5-methyl-2-(2-methylpropyl)imidazolidin-4-one?
The canonical SMILES for 3-(1-ethoxypropan-2-yl)-5-methyl-2-(2-methylpropyl)imidazolidin-4-one is CCOCC(C)N1C(=O)C(C)NC1CC(C)C.
What is the InChIKey of 3-(1-ethoxypropan-2-yl)-5-methyl-2-(2-methylpropyl)imidazolidin-4-one?
The InChIKey is VVAGJTDTCVLUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-6-17-8-10(4)15-12(7-9(2)3)14-11(5)13(15)16/h9-12,14H,6-8H2,1-5H3.
What are the key properties of 3-(1-ethoxypropan-2-yl)-5-methyl-2-(2-methylpropyl)imidazolidin-4-one?
3-(1-ethoxypropan-2-yl)-5-methyl-2-(2-methylpropyl)imidazolidin-4-one has a molecular weight of 242.36 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxypropan-2-yl)-5-methyl-2-(2-methylpropyl)imidazolidin-4-one is sourced from PubChem (CID 83246924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).