3-(1-azabicyclo[2.2.2]octan-3-yl)-5-ethyl-2-(2-methylpropyl)imidazolidin-4-one

C16H29N3O — CID 83237876

IUPAC3-(1-azabicyclo[2.2.2]octan-3-yl)-5-ethyl-2-(2-methylpropyl)imidazolidin-4-one
SMILESCCC1NC(CC(C)C)N(C2CN3CCC2CC3)C1=O
InChIInChI=1S/C16H29N3O/c1-4-13-16(20)19(15(17-13)9-11(2)3)14-10-18-7-5-12(14)6-8-18/h11-15,17H,4-10H2,1-3H3
InChIKeyODYNRLFVTMQSTK-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.66
Rot. Bonds4

About 3-(1-azabicyclo[2.2.2]octan-3-yl)-5-ethyl-2-(2-methylpropyl)imidazolidin-4-one

3-(1-azabicyclo[2.2.2]octan-3-yl)-5-ethyl-2-(2-methylpropyl)imidazolidin-4-one (PubChem CID 83237876) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 3-(1-azabicyclo[2.2.2]octan-3-yl)-5-ethyl-2-(2-methylpropyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-(1-azabicyclo[2.2.2]octan-3-yl)-5-ethyl-2-(2-methylpropyl)imidazolidin-4-one
PubChem CID83237876
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name3-(1-azabicyclo[2.2.2]octan-3-yl)-5-ethyl-2-(2-methylpropyl)imidazolidin-4-one
SMILESCCC1NC(CC(C)C)N(C2CN3CCC2CC3)C1=O
InChIInChI=1S/C16H29N3O/c1-4-13-16(20)19(15(17-13)9-11(2)3)14-10-18-7-5-12(14)6-8-18/h11-15,17H,4-10H2,1-3H3
InChIKeyODYNRLFVTMQSTK-UHFFFAOYSA-N
XLogP1.66
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-3-(2-methylcyclopentyl)-2-(2-methylpropyl)imidazolidin-4-one
CID 83257488
3-(1-azabicyclo[2.2.2]octan-3-yl)-5-butyl-2-propan-2-ylimidazolidin-4-one
CID 83236937
3-(2-ethylcyclohexyl)-2-(2-methylpropyl)-5-propylimidazolidin-4-one
CID 83253814
1-(1-azabicyclo[2.2.2]octan-3-yl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 64958000
3-(2,2-dicyclopropylethyl)-5-ethyl-2-(2-methylpropyl)imidazolidin-4-one
CID 83259007
2-(2-methylpropyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-propylimidazolidin-4-one
CID 83271173
3-(1-methylpiperidin-3-yl)-2,5-bis(2-methylpropyl)imidazolidin-4-one
CID 83247094
1-(1-azabicyclo[2.2.2]octan-3-yl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64958010
2,5-diethyl-3-(2-ethylcyclohexyl)imidazolidin-4-one
CID 83249976
3-[(1,4-dimethylpiperazin-2-yl)methyl]-5-ethyl-2-(2-methylpropyl)imidazolidin-4-one
CID 83263947
5-ethyl-3-(3-methylpentan-2-yl)-2-(2-methylpropyl)imidazolidin-4-one
CID 83246049
2-ethyl-5-(2-methylpropyl)-3-(oxan-4-yl)imidazolidin-4-one
CID 83255946

Frequently Asked Questions

What is the IUPAC name of 3-(1-azabicyclo[2.2.2]octan-3-yl)-5-ethyl-2-(2-methylpropyl)imidazolidin-4-one?
The IUPAC name of 3-(1-azabicyclo[2.2.2]octan-3-yl)-5-ethyl-2-(2-methylpropyl)imidazolidin-4-one (CID 83237876) is 3-(1-azabicyclo[2.2.2]octan-3-yl)-5-ethyl-2-(2-methylpropyl)imidazolidin-4-one.
What is the SMILES notation for 3-(1-azabicyclo[2.2.2]octan-3-yl)-5-ethyl-2-(2-methylpropyl)imidazolidin-4-one?
The canonical SMILES for 3-(1-azabicyclo[2.2.2]octan-3-yl)-5-ethyl-2-(2-methylpropyl)imidazolidin-4-one is CCC1NC(CC(C)C)N(C2CN3CCC2CC3)C1=O.
What is the InChIKey of 3-(1-azabicyclo[2.2.2]octan-3-yl)-5-ethyl-2-(2-methylpropyl)imidazolidin-4-one?
The InChIKey is ODYNRLFVTMQSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-4-13-16(20)19(15(17-13)9-11(2)3)14-10-18-7-5-12(14)6-8-18/h11-15,17H,4-10H2,1-3H3.
What are the key properties of 3-(1-azabicyclo[2.2.2]octan-3-yl)-5-ethyl-2-(2-methylpropyl)imidazolidin-4-one?
3-(1-azabicyclo[2.2.2]octan-3-yl)-5-ethyl-2-(2-methylpropyl)imidazolidin-4-one has a molecular weight of 279.43 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-azabicyclo[2.2.2]octan-3-yl)-5-ethyl-2-(2-methylpropyl)imidazolidin-4-one is sourced from PubChem (CID 83237876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).