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

C16H28N2O3 — CID 83246555

IUPAC2-cyclopentyl-3-(1,4-dioxan-2-ylmethyl)-5-propan-2-ylimidazolidin-4-one
SMILESCC(C)C1NC(C2CCCC2)N(CC2COCCO2)C1=O
InChIInChI=1S/C16H28N2O3/c1-11(2)14-16(19)18(9-13-10-20-7-8-21-13)15(17-14)12-5-3-4-6-12/h11-15,17H,3-10H2,1-2H3
InChIKeyGUNXXYMXQLUNCQ-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.37
Rot. Bonds4

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

2-cyclopentyl-3-(1,4-dioxan-2-ylmethyl)-5-propan-2-ylimidazolidin-4-one (PubChem CID 83246555) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-cyclopentyl-3-(1,4-dioxan-2-ylmethyl)-5-propan-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name2-cyclopentyl-3-(1,4-dioxan-2-ylmethyl)-5-propan-2-ylimidazolidin-4-one
PubChem CID83246555
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name2-cyclopentyl-3-(1,4-dioxan-2-ylmethyl)-5-propan-2-ylimidazolidin-4-one
SMILESCC(C)C1NC(C2CCCC2)N(CC2COCCO2)C1=O
InChIInChI=1S/C16H28N2O3/c1-11(2)14-16(19)18(9-13-10-20-7-8-21-13)15(17-14)12-5-3-4-6-12/h11-15,17H,3-10H2,1-2H3
InChIKeyGUNXXYMXQLUNCQ-UHFFFAOYSA-N
XLogP1.37
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyl-3-(oxolan-2-ylmethyl)-5-propan-2-ylimidazolidin-4-one
CID 83251558
3-(1,4-dioxan-2-ylmethyl)-2-ethyl-5-propan-2-ylimidazolidin-4-one
CID 83255818
3-(cyclohexylmethyl)-2-cyclopentyl-5-propan-2-ylimidazolidin-4-one
CID 83247815
2-cyclopentyl-3-(2,3-dimethylbutyl)-5-propan-2-ylimidazolidin-4-one
CID 83258644
2-cyclopentyl-3-(3-methylbutyl)-5-propan-2-ylimidazolidin-4-one
CID 83238286
5-butan-2-yl-2-cyclopentyl-3-(oxolan-3-ylmethyl)imidazolidin-4-one
CID 83252729
2-methyl-3-(oxan-2-ylmethyl)-5-propan-2-ylimidazolidin-4-one
CID 83256490
2-cyclopentyl-5-propan-2-yl-3-(thiolan-2-ylmethyl)imidazolidin-4-one
CID 83270669
2-cyclopentyl-3-(2,2-difluoroethyl)-5-propan-2-ylimidazolidin-4-one
CID 83271372
3-(1,4-dioxan-2-ylmethyl)-5-propan-2-ylimidazolidin-4-one
CID 83256131
2-cyclopentyl-3-(5-methylhexyl)-5-propan-2-ylimidazolidin-4-one
CID 83269160
2-cyclopentyl-5-methyl-3-(oxan-2-ylmethyl)imidazolidin-4-one
CID 83256823

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-3-(1,4-dioxan-2-ylmethyl)-5-propan-2-ylimidazolidin-4-one?
The IUPAC name of 2-cyclopentyl-3-(1,4-dioxan-2-ylmethyl)-5-propan-2-ylimidazolidin-4-one (CID 83246555) is 2-cyclopentyl-3-(1,4-dioxan-2-ylmethyl)-5-propan-2-ylimidazolidin-4-one.
What is the SMILES notation for 2-cyclopentyl-3-(1,4-dioxan-2-ylmethyl)-5-propan-2-ylimidazolidin-4-one?
The canonical SMILES for 2-cyclopentyl-3-(1,4-dioxan-2-ylmethyl)-5-propan-2-ylimidazolidin-4-one is CC(C)C1NC(C2CCCC2)N(CC2COCCO2)C1=O.
What is the InChIKey of 2-cyclopentyl-3-(1,4-dioxan-2-ylmethyl)-5-propan-2-ylimidazolidin-4-one?
The InChIKey is GUNXXYMXQLUNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-11(2)14-16(19)18(9-13-10-20-7-8-21-13)15(17-14)12-5-3-4-6-12/h11-15,17H,3-10H2,1-2H3.
What are the key properties of 2-cyclopentyl-3-(1,4-dioxan-2-ylmethyl)-5-propan-2-ylimidazolidin-4-one?
2-cyclopentyl-3-(1,4-dioxan-2-ylmethyl)-5-propan-2-ylimidazolidin-4-one has a molecular weight of 296.41 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-3-(1,4-dioxan-2-ylmethyl)-5-propan-2-ylimidazolidin-4-one is sourced from PubChem (CID 83246555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).