5-butan-2-yl-2-ethyl-3-(2-methoxypropyl)imidazolidin-4-one

C13H26N2O2 — CID 102702008

IUPAC5-butan-2-yl-2-ethyl-3-(2-methoxypropyl)imidazolidin-4-one
SMILESCCC(C)C1NC(CC)N(CC(C)OC)C1=O
InChIInChI=1S/C13H26N2O2/c1-6-9(3)12-13(16)15(8-10(4)17-5)11(7-2)14-12/h9-12,14H,6-8H2,1-5H3
InChIKeyVXJRXYLZEXONCW-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.60
Rot. Bonds6

About 5-butan-2-yl-2-ethyl-3-(2-methoxypropyl)imidazolidin-4-one

5-butan-2-yl-2-ethyl-3-(2-methoxypropyl)imidazolidin-4-one (PubChem CID 102702008) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 5-butan-2-yl-2-ethyl-3-(2-methoxypropyl)imidazolidin-4-one.

Molecular Properties

Compound Name5-butan-2-yl-2-ethyl-3-(2-methoxypropyl)imidazolidin-4-one
PubChem CID102702008
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name5-butan-2-yl-2-ethyl-3-(2-methoxypropyl)imidazolidin-4-one
SMILESCCC(C)C1NC(CC)N(CC(C)OC)C1=O
InChIInChI=1S/C13H26N2O2/c1-6-9(3)12-13(16)15(8-10(4)17-5)11(7-2)14-12/h9-12,14H,6-8H2,1-5H3
InChIKeyVXJRXYLZEXONCW-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-2-ethyl-3-(3-methoxy-2-methylpropyl)imidazolidin-4-one
CID 83249724
5-butan-2-yl-2-ethyl-3-[2-(2-methoxyethoxy)ethyl]imidazolidin-4-one
CID 83245523
5-butan-2-yl-2-ethyl-3-[(1-methylcyclopropyl)methyl]imidazolidin-4-one
CID 114102642
5-butan-2-yl-2-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]imidazolidin-4-one
CID 83254561
5-butan-2-yl-2-ethyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one
CID 83260297
5-butan-2-yl-2-ethyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one
CID 106327137
5-butan-2-yl-2-ethyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one
CID 83270352
5-butan-2-yl-3-(2-methoxy-2-methylpropyl)-2-propylimidazolidin-4-one
CID 104767780
5-butan-2-yl-3-(4-methoxybutyl)-2-propylimidazolidin-4-one
CID 83247429
5-butan-2-yl-3-(3-methylbutyl)-2-(2-methylpropyl)imidazolidin-4-one
CID 83237061
5-butan-2-yl-3-(2,3-dimethylbutyl)-2-methylimidazolidin-4-one
CID 83259137
5-butan-2-yl-3-[1-(dimethylamino)propan-2-yl]-2-ethylimidazolidin-4-one
CID 83260616

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-ethyl-3-(2-methoxypropyl)imidazolidin-4-one?
The IUPAC name of 5-butan-2-yl-2-ethyl-3-(2-methoxypropyl)imidazolidin-4-one (CID 102702008) is 5-butan-2-yl-2-ethyl-3-(2-methoxypropyl)imidazolidin-4-one.
What is the SMILES notation for 5-butan-2-yl-2-ethyl-3-(2-methoxypropyl)imidazolidin-4-one?
The canonical SMILES for 5-butan-2-yl-2-ethyl-3-(2-methoxypropyl)imidazolidin-4-one is CCC(C)C1NC(CC)N(CC(C)OC)C1=O.
What is the InChIKey of 5-butan-2-yl-2-ethyl-3-(2-methoxypropyl)imidazolidin-4-one?
The InChIKey is VXJRXYLZEXONCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-6-9(3)12-13(16)15(8-10(4)17-5)11(7-2)14-12/h9-12,14H,6-8H2,1-5H3.
What are the key properties of 5-butan-2-yl-2-ethyl-3-(2-methoxypropyl)imidazolidin-4-one?
5-butan-2-yl-2-ethyl-3-(2-methoxypropyl)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 5-butan-2-yl-2-ethyl-3-(2-methoxypropyl)imidazolidin-4-one is sourced from PubChem (CID 102702008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).