2-(2-methylpropyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-propylimidazolidin-4-one

C16H28N2O2 — CID 83271173

IUPAC2-(2-methylpropyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-propylimidazolidin-4-one
SMILESCCCC1NC(CC(C)C)N(C2CC3CCC2O3)C1=O
InChIInChI=1S/C16H28N2O2/c1-4-5-12-16(19)18(15(17-12)8-10(2)3)13-9-11-6-7-14(13)20-11/h10-15,17H,4-9H2,1-3H3
InChIKeyLITFYLKTZAZGIB-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.28
Rot. Bonds5

About 2-(2-methylpropyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-propylimidazolidin-4-one

2-(2-methylpropyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-propylimidazolidin-4-one (PubChem CID 83271173) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 2-(2-methylpropyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-propylimidazolidin-4-one.

Molecular Properties

Compound Name2-(2-methylpropyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-propylimidazolidin-4-one
PubChem CID83271173
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name2-(2-methylpropyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-propylimidazolidin-4-one
SMILESCCCC1NC(CC(C)C)N(C2CC3CCC2O3)C1=O
InChIInChI=1S/C16H28N2O2/c1-4-5-12-16(19)18(15(17-12)8-10(2)3)13-9-11-6-7-14(13)20-11/h10-15,17H,4-9H2,1-3H3
InChIKeyLITFYLKTZAZGIB-UHFFFAOYSA-N
XLogP2.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-propylimidazolidin-4-one
CID 83267451
3-(2-ethylcyclohexyl)-2-(2-methylpropyl)-5-propylimidazolidin-4-one
CID 83253814
5-butyl-2-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)imidazolidin-4-one
CID 83270218
3-(3,4-dimethylcyclohexyl)-2-(2-methylpropyl)-5-propylimidazolidin-4-one
CID 83263293
3-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-propan-2-ylpiperazine-2,5-dione
CID 80731819
5-ethyl-3-(2-methylcyclopentyl)-2-(2-methylpropyl)imidazolidin-4-one
CID 83257488
3-(1-azabicyclo[2.2.2]octan-3-yl)-5-ethyl-2-(2-methylpropyl)imidazolidin-4-one
CID 83237876
2-(2-methylpropyl)-3,5-dipropylimidazolidin-4-one
CID 83242530
2-ethyl-3-(2-propan-2-ylcyclohexyl)-5-propylimidazolidin-4-one
CID 83259873
2-(2-methylpropyl)-3-pentan-3-yl-5-propylimidazolidin-4-one
CID 83242841
3-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-propan-2-ylpiperazine-2,5-dione
CID 80732818
2-(2-methylpropyl)-3-[2-(oxan-2-yl)ethyl]-5-propylimidazolidin-4-one
CID 106000199

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-propylimidazolidin-4-one?
The IUPAC name of 2-(2-methylpropyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-propylimidazolidin-4-one (CID 83271173) is 2-(2-methylpropyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-propylimidazolidin-4-one.
What is the SMILES notation for 2-(2-methylpropyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-propylimidazolidin-4-one?
The canonical SMILES for 2-(2-methylpropyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-propylimidazolidin-4-one is CCCC1NC(CC(C)C)N(C2CC3CCC2O3)C1=O.
What is the InChIKey of 2-(2-methylpropyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-propylimidazolidin-4-one?
The InChIKey is LITFYLKTZAZGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-4-5-12-16(19)18(15(17-12)8-10(2)3)13-9-11-6-7-14(13)20-11/h10-15,17H,4-9H2,1-3H3.
What are the key properties of 2-(2-methylpropyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-propylimidazolidin-4-one?
2-(2-methylpropyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-propylimidazolidin-4-one has a molecular weight of 280.41 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-propylimidazolidin-4-one is sourced from PubChem (CID 83271173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).