3-(2,2-diethyloxan-4-yl)-2-methyl-5-propylimidazolidin-4-one

C16H30N2O2 — CID 83260537

IUPAC3-(2,2-diethyloxan-4-yl)-2-methyl-5-propylimidazolidin-4-one
SMILESCCCC1NC(C)N(C2CCOC(CC)(CC)C2)C1=O
InChIInChI=1S/C16H30N2O2/c1-5-8-14-15(19)18(12(4)17-14)13-9-10-20-16(6-2,7-3)11-13/h12-14,17H,5-11H2,1-4H3
InChIKeyYGYWQEVNCSWBHT-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.67
Rot. Bonds5

About 3-(2,2-diethyloxan-4-yl)-2-methyl-5-propylimidazolidin-4-one

3-(2,2-diethyloxan-4-yl)-2-methyl-5-propylimidazolidin-4-one (PubChem CID 83260537) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 3-(2,2-diethyloxan-4-yl)-2-methyl-5-propylimidazolidin-4-one.

Molecular Properties

Compound Name3-(2,2-diethyloxan-4-yl)-2-methyl-5-propylimidazolidin-4-one
PubChem CID83260537
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name3-(2,2-diethyloxan-4-yl)-2-methyl-5-propylimidazolidin-4-one
SMILESCCCC1NC(C)N(C2CCOC(CC)(CC)C2)C1=O
InChIInChI=1S/C16H30N2O2/c1-5-8-14-15(19)18(12(4)17-14)13-9-10-20-16(6-2,7-3)11-13/h12-14,17H,5-11H2,1-4H3
InChIKeyYGYWQEVNCSWBHT-UHFFFAOYSA-N
XLogP2.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,2-diethyloxan-4-yl)-2-methyl-5-(2-methylpropyl)imidazolidin-4-one
CID 83269868
3-(2,2-dimethyloxan-4-yl)-5-methyl-2-propylimidazolidin-4-one
CID 83259851
1-(2,2-diethyloxan-4-yl)-3-methylpiperazine-2,5-dione
CID 83040533
3-(oxolan-3-yl)-2,5-dipropylimidazolidin-4-one
CID 83271242
2-ethyl-3-(oxan-4-yl)-5-propylimidazolidin-4-one
CID 83256508
1-(2,2-diethyloxan-4-yl)-1,3-diazinane-2,4-dione
CID 83039447
3-(3,3-dimethylcyclohexyl)-5-ethyl-2-methylimidazolidin-4-one
CID 83270636
3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-methyl-5-propylimidazolidin-4-one
CID 83249017
6-(2,2-diethyloxan-4-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83260104
1-(2,2-diethyloxan-4-yl)piperazin-2-one
CID 83040073
2,5-dipropyl-3-(4-propylcyclohexyl)imidazolidin-4-one
CID 83252923
2-methyl-3-[1-(oxolan-2-yl)ethyl]-5-propylimidazolidin-4-one
CID 83243306

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-diethyloxan-4-yl)-2-methyl-5-propylimidazolidin-4-one?
The IUPAC name of 3-(2,2-diethyloxan-4-yl)-2-methyl-5-propylimidazolidin-4-one (CID 83260537) is 3-(2,2-diethyloxan-4-yl)-2-methyl-5-propylimidazolidin-4-one.
What is the SMILES notation for 3-(2,2-diethyloxan-4-yl)-2-methyl-5-propylimidazolidin-4-one?
The canonical SMILES for 3-(2,2-diethyloxan-4-yl)-2-methyl-5-propylimidazolidin-4-one is CCCC1NC(C)N(C2CCOC(CC)(CC)C2)C1=O.
What is the InChIKey of 3-(2,2-diethyloxan-4-yl)-2-methyl-5-propylimidazolidin-4-one?
The InChIKey is YGYWQEVNCSWBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-5-8-14-15(19)18(12(4)17-14)13-9-10-20-16(6-2,7-3)11-13/h12-14,17H,5-11H2,1-4H3.
What are the key properties of 3-(2,2-diethyloxan-4-yl)-2-methyl-5-propylimidazolidin-4-one?
3-(2,2-diethyloxan-4-yl)-2-methyl-5-propylimidazolidin-4-one has a molecular weight of 282.43 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-diethyloxan-4-yl)-2-methyl-5-propylimidazolidin-4-one is sourced from PubChem (CID 83260537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).