5-ethyl-5-methyl-3-[2-(oxan-2-yl)ethyl]-2-propylimidazolidin-4-one

C16H30N2O2 — CID 106000174

IUPAC5-ethyl-5-methyl-3-[2-(oxan-2-yl)ethyl]-2-propylimidazolidin-4-one
SMILESCCCC1NC(C)(CC)C(=O)N1CCC1CCCCO1
InChIInChI=1S/C16H30N2O2/c1-4-8-14-17-16(3,5-2)15(19)18(14)11-10-13-9-6-7-12-20-13/h13-14,17H,4-12H2,1-3H3
InChIKeyPPFQIAWLQHHRIJ-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.67
Rot. Bonds6

About 5-ethyl-5-methyl-3-[2-(oxan-2-yl)ethyl]-2-propylimidazolidin-4-one

5-ethyl-5-methyl-3-[2-(oxan-2-yl)ethyl]-2-propylimidazolidin-4-one (PubChem CID 106000174) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 5-ethyl-5-methyl-3-[2-(oxan-2-yl)ethyl]-2-propylimidazolidin-4-one.

Molecular Properties

Compound Name5-ethyl-5-methyl-3-[2-(oxan-2-yl)ethyl]-2-propylimidazolidin-4-one
PubChem CID106000174
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name5-ethyl-5-methyl-3-[2-(oxan-2-yl)ethyl]-2-propylimidazolidin-4-one
SMILESCCCC1NC(C)(CC)C(=O)N1CCC1CCCCO1
InChIInChI=1S/C16H30N2O2/c1-4-8-14-17-16(3,5-2)15(19)18(14)11-10-13-9-6-7-12-20-13/h13-14,17H,4-12H2,1-3H3
InChIKeyPPFQIAWLQHHRIJ-UHFFFAOYSA-N
XLogP2.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

5-ethyl-5-methyl-2-propyl-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one
CID 83252241
3-[2-(oxan-2-yl)ethyl]-5-propan-2-yl-2-propylimidazolidin-4-one
CID 106000051
3-(2,2-dicyclopropylethyl)-5-ethyl-5-methyl-2-propylimidazolidin-4-one
CID 83258273
5-ethyl-5-methyl-3-(2-methylsulfonylethyl)-2-propylimidazolidin-4-one
CID 83256448
5,5-diethyl-1-[2-(oxan-2-yl)ethyl]-1,3-diazinane-2,4,6-trione
CID 106006095
6-ethyl-3,3-dimethyl-1-[2-(oxan-2-yl)ethyl]piperazine-2,5-dione
CID 106002967
5-ethyl-5-methyl-3-(4-methylpentyl)-2-propylimidazolidin-4-one
CID 83255455
3-(3-cyclopentylpropyl)-2,5-diethyl-5-methylimidazolidin-4-one
CID 106011271
5-ethyl-3-[2-(oxolan-2-yl)ethyl]-2-propylimidazolidin-4-one
CID 83248789
3-(2,3-dimethylbutyl)-5-ethyl-5-methyl-2-propylimidazolidin-4-one
CID 83259462
5-ethyl-5-methyl-2-propyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one
CID 83271309
5-ethyl-5-methyl-3-(oxolan-2-ylmethyl)-2-propan-2-ylimidazolidin-4-one
CID 83250968

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-methyl-3-[2-(oxan-2-yl)ethyl]-2-propylimidazolidin-4-one?
The IUPAC name of 5-ethyl-5-methyl-3-[2-(oxan-2-yl)ethyl]-2-propylimidazolidin-4-one (CID 106000174) is 5-ethyl-5-methyl-3-[2-(oxan-2-yl)ethyl]-2-propylimidazolidin-4-one.
What is the SMILES notation for 5-ethyl-5-methyl-3-[2-(oxan-2-yl)ethyl]-2-propylimidazolidin-4-one?
The canonical SMILES for 5-ethyl-5-methyl-3-[2-(oxan-2-yl)ethyl]-2-propylimidazolidin-4-one is CCCC1NC(C)(CC)C(=O)N1CCC1CCCCO1.
What is the InChIKey of 5-ethyl-5-methyl-3-[2-(oxan-2-yl)ethyl]-2-propylimidazolidin-4-one?
The InChIKey is PPFQIAWLQHHRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-4-8-14-17-16(3,5-2)15(19)18(14)11-10-13-9-6-7-12-20-13/h13-14,17H,4-12H2,1-3H3.
What are the key properties of 5-ethyl-5-methyl-3-[2-(oxan-2-yl)ethyl]-2-propylimidazolidin-4-one?
5-ethyl-5-methyl-3-[2-(oxan-2-yl)ethyl]-2-propylimidazolidin-4-one has a molecular weight of 282.43 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-methyl-3-[2-(oxan-2-yl)ethyl]-2-propylimidazolidin-4-one is sourced from PubChem (CID 106000174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).