5-butan-2-yl-3-(2-ethoxy-2-methylpropyl)-2-propylimidazolidin-4-one

C16H32N2O2 — CID 114944867

IUPAC5-butan-2-yl-3-(2-ethoxy-2-methylpropyl)-2-propylimidazolidin-4-one
SMILESCCCC1NC(C(C)CC)C(=O)N1CC(C)(C)OCC
InChIInChI=1S/C16H32N2O2/c1-7-10-13-17-14(12(4)8-2)15(19)18(13)11-16(5,6)20-9-3/h12-14,17H,7-11H2,1-6H3
InChIKeyYBFLYHXFLDRNSH-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.77
Rot. Bonds8

About 5-butan-2-yl-3-(2-ethoxy-2-methylpropyl)-2-propylimidazolidin-4-one

5-butan-2-yl-3-(2-ethoxy-2-methylpropyl)-2-propylimidazolidin-4-one (PubChem CID 114944867) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 5-butan-2-yl-3-(2-ethoxy-2-methylpropyl)-2-propylimidazolidin-4-one.

Molecular Properties

Compound Name5-butan-2-yl-3-(2-ethoxy-2-methylpropyl)-2-propylimidazolidin-4-one
PubChem CID114944867
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name5-butan-2-yl-3-(2-ethoxy-2-methylpropyl)-2-propylimidazolidin-4-one
SMILESCCCC1NC(C(C)CC)C(=O)N1CC(C)(C)OCC
InChIInChI=1S/C16H32N2O2/c1-7-10-13-17-14(12(4)8-2)15(19)18(13)11-16(5,6)20-9-3/h12-14,17H,7-11H2,1-6H3
InChIKeyYBFLYHXFLDRNSH-UHFFFAOYSA-N
XLogP2.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-butan-2-yl-3-(2-methoxy-2-methylpropyl)-2-propylimidazolidin-4-one
CID 104767780
5-butan-2-yl-3-[2-[methyl(propan-2-yl)amino]ethyl]-2-propylimidazolidin-4-one
CID 83253763
5-butan-2-yl-3-[2-(dimethylamino)ethyl]-2-propylimidazolidin-4-one
CID 83250833
5-butan-2-yl-3-(4-methoxybutyl)-2-propylimidazolidin-4-one
CID 83247429
5-butan-2-yl-3-methyl-2-propylimidazolidin-4-one
CID 83260057
5-butan-2-yl-3-[(2-methylcyclopropyl)methyl]-2-propylimidazolidin-4-one
CID 113464306
5-butan-2-yl-3-pentan-3-yl-2-propylimidazolidin-4-one
CID 83241971
5-butan-2-yl-3-(1-ethoxypropan-2-yl)-2-propylimidazolidin-4-one
CID 83247716
5-butan-2-yl-3-(2-methoxy-2-methylpropyl)-2-propan-2-ylimidazolidin-4-one
CID 104767773
5-butan-2-yl-3-[(1,1-dioxothiolan-2-yl)methyl]-2-propylimidazolidin-4-one
CID 83266738
5-butan-2-yl-3-(5-methylhexan-2-yl)-2-propylimidazolidin-4-one
CID 83263112
5-butan-2-yl-3-(1-methoxy-3-methylbutan-2-yl)-2-propylimidazolidin-4-one
CID 83259061

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-3-(2-ethoxy-2-methylpropyl)-2-propylimidazolidin-4-one?
The IUPAC name of 5-butan-2-yl-3-(2-ethoxy-2-methylpropyl)-2-propylimidazolidin-4-one (CID 114944867) is 5-butan-2-yl-3-(2-ethoxy-2-methylpropyl)-2-propylimidazolidin-4-one.
What is the SMILES notation for 5-butan-2-yl-3-(2-ethoxy-2-methylpropyl)-2-propylimidazolidin-4-one?
The canonical SMILES for 5-butan-2-yl-3-(2-ethoxy-2-methylpropyl)-2-propylimidazolidin-4-one is CCCC1NC(C(C)CC)C(=O)N1CC(C)(C)OCC.
What is the InChIKey of 5-butan-2-yl-3-(2-ethoxy-2-methylpropyl)-2-propylimidazolidin-4-one?
The InChIKey is YBFLYHXFLDRNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-7-10-13-17-14(12(4)8-2)15(19)18(13)11-16(5,6)20-9-3/h12-14,17H,7-11H2,1-6H3.
What are the key properties of 5-butan-2-yl-3-(2-ethoxy-2-methylpropyl)-2-propylimidazolidin-4-one?
5-butan-2-yl-3-(2-ethoxy-2-methylpropyl)-2-propylimidazolidin-4-one has a molecular weight of 284.44 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-3-(2-ethoxy-2-methylpropyl)-2-propylimidazolidin-4-one is sourced from PubChem (CID 114944867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).