5-butyl-3-(oxan-3-yl)-2-propan-2-ylimidazolidin-4-one

C15H28N2O2 — CID 83262754

IUPAC5-butyl-3-(oxan-3-yl)-2-propan-2-ylimidazolidin-4-one
SMILESCCCCC1NC(C(C)C)N(C2CCCOC2)C1=O
InChIInChI=1S/C15H28N2O2/c1-4-5-8-13-15(18)17(14(16-13)11(2)3)12-7-6-9-19-10-12/h11-14,16H,4-10H2,1-3H3
InChIKeyWRASHGOJUQAJGX-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.14
Rot. Bonds5

About 5-butyl-3-(oxan-3-yl)-2-propan-2-ylimidazolidin-4-one

5-butyl-3-(oxan-3-yl)-2-propan-2-ylimidazolidin-4-one (PubChem CID 83262754) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 5-butyl-3-(oxan-3-yl)-2-propan-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name5-butyl-3-(oxan-3-yl)-2-propan-2-ylimidazolidin-4-one
PubChem CID83262754
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name5-butyl-3-(oxan-3-yl)-2-propan-2-ylimidazolidin-4-one
SMILESCCCCC1NC(C(C)C)N(C2CCCOC2)C1=O
InChIInChI=1S/C15H28N2O2/c1-4-5-8-13-15(18)17(14(16-13)11(2)3)12-7-6-9-19-10-12/h11-14,16H,4-10H2,1-3H3
InChIKeyWRASHGOJUQAJGX-UHFFFAOYSA-N
XLogP2.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-butyl-3-cycloheptyl-2-propan-2-ylimidazolidin-4-one
CID 83244477
3-(oxan-3-yl)-5-propan-2-yl-2-propylimidazolidin-4-one
CID 83263063
3-(1-azabicyclo[2.2.2]octan-3-yl)-5-butyl-2-propan-2-ylimidazolidin-4-one
CID 83236937
5-butyl-3-(3-ethyl-2-methylcyclopentyl)-2-propan-2-ylimidazolidin-4-one
CID 83266918
5-butyl-3-(cyclobutylmethyl)-2-propan-2-ylimidazolidin-4-one
CID 83244060
5-ethyl-5-methyl-3-(oxan-3-yl)-2-propan-2-ylimidazolidin-4-one
CID 83262917
3-(oxolan-3-yl)-2,5-dipropylimidazolidin-4-one
CID 83271242
3-(oxan-3-yl)-5-propyl-2-thiophen-3-ylimidazolidin-4-one
CID 83263879
5-butyl-3-(oxolan-3-yl)-2-thiophen-3-ylimidazolidin-4-one
CID 83271415
5-butyl-3-(oxolan-3-yl)-2-thiophen-2-ylimidazolidin-4-one
CID 83271009
5-butan-2-yl-2-methyl-3-(oxan-3-yl)imidazolidin-4-one
CID 83264762
5-butyl-3-cyclooctyl-2-propylimidazolidin-4-one
CID 83238137

Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-(oxan-3-yl)-2-propan-2-ylimidazolidin-4-one?
The IUPAC name of 5-butyl-3-(oxan-3-yl)-2-propan-2-ylimidazolidin-4-one (CID 83262754) is 5-butyl-3-(oxan-3-yl)-2-propan-2-ylimidazolidin-4-one.
What is the SMILES notation for 5-butyl-3-(oxan-3-yl)-2-propan-2-ylimidazolidin-4-one?
The canonical SMILES for 5-butyl-3-(oxan-3-yl)-2-propan-2-ylimidazolidin-4-one is CCCCC1NC(C(C)C)N(C2CCCOC2)C1=O.
What is the InChIKey of 5-butyl-3-(oxan-3-yl)-2-propan-2-ylimidazolidin-4-one?
The InChIKey is WRASHGOJUQAJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-4-5-8-13-15(18)17(14(16-13)11(2)3)12-7-6-9-19-10-12/h11-14,16H,4-10H2,1-3H3.
What are the key properties of 5-butyl-3-(oxan-3-yl)-2-propan-2-ylimidazolidin-4-one?
5-butyl-3-(oxan-3-yl)-2-propan-2-ylimidazolidin-4-one has a molecular weight of 268.40 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-(oxan-3-yl)-2-propan-2-ylimidazolidin-4-one is sourced from PubChem (CID 83262754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).