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

C17H32N2O2 — CID 83269868

IUPAC3-(2,2-diethyloxan-4-yl)-2-methyl-5-(2-methylpropyl)imidazolidin-4-one
SMILESCCC1(CC)CC(N2C(=O)C(CC(C)C)NC2C)CCO1
InChIInChI=1S/C17H32N2O2/c1-6-17(7-2)11-14(8-9-21-17)19-13(5)18-15(16(19)20)10-12(3)4/h12-15,18H,6-11H2,1-5H3
InChIKeyNQVNYQSMJCPLLT-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.92
Rot. Bonds5

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

3-(2,2-diethyloxan-4-yl)-2-methyl-5-(2-methylpropyl)imidazolidin-4-one (PubChem CID 83269868) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 3-(2,2-diethyloxan-4-yl)-2-methyl-5-(2-methylpropyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-(2,2-diethyloxan-4-yl)-2-methyl-5-(2-methylpropyl)imidazolidin-4-one
PubChem CID83269868
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name3-(2,2-diethyloxan-4-yl)-2-methyl-5-(2-methylpropyl)imidazolidin-4-one
SMILESCCC1(CC)CC(N2C(=O)C(CC(C)C)NC2C)CCO1
InChIInChI=1S/C17H32N2O2/c1-6-17(7-2)11-14(8-9-21-17)19-13(5)18-15(16(19)20)10-12(3)4/h12-15,18H,6-11H2,1-5H3
InChIKeyNQVNYQSMJCPLLT-UHFFFAOYSA-N
XLogP2.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,2-diethyloxan-4-yl)-2-methyl-5-propylimidazolidin-4-one
CID 83260537
2-methyl-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-5-(2-methylpropyl)imidazolidin-4-one
CID 83262954
2-ethyl-5-(2-methylpropyl)-3-(oxan-4-yl)imidazolidin-4-one
CID 83255946
1-(2,2-diethyloxan-4-yl)-3-methylpiperazine-2,5-dione
CID 83040533
1-(2,2-diethyloxan-4-yl)-1,3-diazinane-2,4-dione
CID 83039447
2-methyl-5-(2-methylpropyl)-3-[1-(oxolan-2-yl)ethyl]imidazolidin-4-one
CID 83243387
3-(3,3-dimethylcyclohexyl)-5-ethyl-2-methylimidazolidin-4-one
CID 83270636
3-(2,2-dimethylcyclopropyl)-5-(2-methylpropyl)-2-propylimidazolidin-4-one
CID 83246068
2-cyclopentyl-3-cyclopropyl-5-(2-methylpropyl)imidazolidin-4-one
CID 83242377
1-(2,2-diethyloxan-4-yl)piperazin-2-one
CID 83040073
6-(2,2-diethyloxan-4-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83260104
3-(2,2-dimethyloxan-4-yl)-5-methyl-2-propylimidazolidin-4-one
CID 83259851

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-diethyloxan-4-yl)-2-methyl-5-(2-methylpropyl)imidazolidin-4-one?
The IUPAC name of 3-(2,2-diethyloxan-4-yl)-2-methyl-5-(2-methylpropyl)imidazolidin-4-one (CID 83269868) is 3-(2,2-diethyloxan-4-yl)-2-methyl-5-(2-methylpropyl)imidazolidin-4-one.
What is the SMILES notation for 3-(2,2-diethyloxan-4-yl)-2-methyl-5-(2-methylpropyl)imidazolidin-4-one?
The canonical SMILES for 3-(2,2-diethyloxan-4-yl)-2-methyl-5-(2-methylpropyl)imidazolidin-4-one is CCC1(CC)CC(N2C(=O)C(CC(C)C)NC2C)CCO1.
What is the InChIKey of 3-(2,2-diethyloxan-4-yl)-2-methyl-5-(2-methylpropyl)imidazolidin-4-one?
The InChIKey is NQVNYQSMJCPLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-6-17(7-2)11-14(8-9-21-17)19-13(5)18-15(16(19)20)10-12(3)4/h12-15,18H,6-11H2,1-5H3.
What are the key properties of 3-(2,2-diethyloxan-4-yl)-2-methyl-5-(2-methylpropyl)imidazolidin-4-one?
3-(2,2-diethyloxan-4-yl)-2-methyl-5-(2-methylpropyl)imidazolidin-4-one has a molecular weight of 296.45 g/mol, XLogP of 2.92, 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-(2-methylpropyl)imidazolidin-4-one is sourced from PubChem (CID 83269868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).