5-ethyl-5-methyl-3-(oxolan-2-ylmethyl)-2-propan-2-ylimidazolidin-4-one

C14H26N2O2 — CID 83250968

IUPAC5-ethyl-5-methyl-3-(oxolan-2-ylmethyl)-2-propan-2-ylimidazolidin-4-one
SMILESCCC1(C)NC(C(C)C)N(CC2CCCO2)C1=O
InChIInChI=1S/C14H26N2O2/c1-5-14(4)13(17)16(12(15-14)10(2)3)9-11-7-6-8-18-11/h10-12,15H,5-9H2,1-4H3
InChIKeyAGRUKZUGEPQHPD-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.75
Rot. Bonds4

About 5-ethyl-5-methyl-3-(oxolan-2-ylmethyl)-2-propan-2-ylimidazolidin-4-one

5-ethyl-5-methyl-3-(oxolan-2-ylmethyl)-2-propan-2-ylimidazolidin-4-one (PubChem CID 83250968) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 5-ethyl-5-methyl-3-(oxolan-2-ylmethyl)-2-propan-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name5-ethyl-5-methyl-3-(oxolan-2-ylmethyl)-2-propan-2-ylimidazolidin-4-one
PubChem CID83250968
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name5-ethyl-5-methyl-3-(oxolan-2-ylmethyl)-2-propan-2-ylimidazolidin-4-one
SMILESCCC1(C)NC(C(C)C)N(CC2CCCO2)C1=O
InChIInChI=1S/C14H26N2O2/c1-5-14(4)13(17)16(12(15-14)10(2)3)9-11-7-6-8-18-11/h10-12,15H,5-9H2,1-4H3
InChIKeyAGRUKZUGEPQHPD-UHFFFAOYSA-N
XLogP1.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,4-dioxan-2-ylmethyl)-5-ethyl-5-methyl-2-propan-2-ylimidazolidin-4-one
CID 83256292
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
5-ethyl-5-methyl-3-(oxolan-2-ylmethyl)-2-thiophen-2-ylimidazolidin-4-one
CID 83250456
5-ethyl-5-methyl-3-(2-methylpropyl)-2-propan-2-ylimidazolidin-4-one
CID 83243083
3,6-diethyl-3-methyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione
CID 64887574
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
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
3,6,6-triethyl-3-methyl-1-(oxolan-2-ylmethyl)piperazine-2,5-dione
CID 64885686
5-ethyl-5-methyl-3-[2-(oxan-2-yl)ethyl]-2-propylimidazolidin-4-one
CID 106000174

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-methyl-3-(oxolan-2-ylmethyl)-2-propan-2-ylimidazolidin-4-one?
The IUPAC name of 5-ethyl-5-methyl-3-(oxolan-2-ylmethyl)-2-propan-2-ylimidazolidin-4-one (CID 83250968) is 5-ethyl-5-methyl-3-(oxolan-2-ylmethyl)-2-propan-2-ylimidazolidin-4-one.
What is the SMILES notation for 5-ethyl-5-methyl-3-(oxolan-2-ylmethyl)-2-propan-2-ylimidazolidin-4-one?
The canonical SMILES for 5-ethyl-5-methyl-3-(oxolan-2-ylmethyl)-2-propan-2-ylimidazolidin-4-one is CCC1(C)NC(C(C)C)N(CC2CCCO2)C1=O.
What is the InChIKey of 5-ethyl-5-methyl-3-(oxolan-2-ylmethyl)-2-propan-2-ylimidazolidin-4-one?
The InChIKey is AGRUKZUGEPQHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-5-14(4)13(17)16(12(15-14)10(2)3)9-11-7-6-8-18-11/h10-12,15H,5-9H2,1-4H3.
What are the key properties of 5-ethyl-5-methyl-3-(oxolan-2-ylmethyl)-2-propan-2-ylimidazolidin-4-one?
5-ethyl-5-methyl-3-(oxolan-2-ylmethyl)-2-propan-2-ylimidazolidin-4-one has a molecular weight of 254.37 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-methyl-3-(oxolan-2-ylmethyl)-2-propan-2-ylimidazolidin-4-one is sourced from PubChem (CID 83250968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).