5-ethyl-5-methyl-3-[(4-methylcyclohexyl)methyl]-2-propan-2-ylimidazolidin-4-one

C17H32N2O — CID 83254276

IUPAC5-ethyl-5-methyl-3-[(4-methylcyclohexyl)methyl]-2-propan-2-ylimidazolidin-4-one
SMILESCCC1(C)NC(C(C)C)N(CC2CCC(C)CC2)C1=O
InChIInChI=1S/C17H32N2O/c1-6-17(5)16(20)19(15(18-17)12(2)3)11-14-9-7-13(4)8-10-14/h12-15,18H,6-11H2,1-5H3
InChIKeyCEFWHEGFORYDNC-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.40
Rot. Bonds4

About 5-ethyl-5-methyl-3-[(4-methylcyclohexyl)methyl]-2-propan-2-ylimidazolidin-4-one

5-ethyl-5-methyl-3-[(4-methylcyclohexyl)methyl]-2-propan-2-ylimidazolidin-4-one (PubChem CID 83254276) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 5-ethyl-5-methyl-3-[(4-methylcyclohexyl)methyl]-2-propan-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name5-ethyl-5-methyl-3-[(4-methylcyclohexyl)methyl]-2-propan-2-ylimidazolidin-4-one
PubChem CID83254276
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name5-ethyl-5-methyl-3-[(4-methylcyclohexyl)methyl]-2-propan-2-ylimidazolidin-4-one
SMILESCCC1(C)NC(C(C)C)N(CC2CCC(C)CC2)C1=O
InChIInChI=1S/C17H32N2O/c1-6-17(5)16(20)19(15(18-17)12(2)3)11-14-9-7-13(4)8-10-14/h12-15,18H,6-11H2,1-5H3
InChIKeyCEFWHEGFORYDNC-UHFFFAOYSA-N
XLogP3.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-5-methyl-3-(oxolan-2-ylmethyl)-2-propan-2-ylimidazolidin-4-one
CID 83250968
5-ethyl-5-methyl-3-(2-methylpropyl)-2-propan-2-ylimidazolidin-4-one
CID 83243083
5-ethyl-5-methyl-3-(3-methyl-2-propan-2-ylbutyl)-2-propan-2-ylimidazolidin-4-one
CID 102916100
5-ethyl-5-methyl-3-[(3-methylcyclopentyl)methyl]-2-propylimidazolidin-4-one
CID 107416112
3-(1,4-dioxan-2-ylmethyl)-5-ethyl-5-methyl-2-propan-2-ylimidazolidin-4-one
CID 83256292
5-ethyl-5-methyl-2-propan-2-yl-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one
CID 83252393
5-ethyl-3-[(4-ethylmorpholin-2-yl)methyl]-5-methyl-2-propan-2-ylimidazolidin-4-one
CID 114401683
3-(1-cyclopropylethyl)-5-ethyl-5-methyl-2-propan-2-ylimidazolidin-4-one
CID 83244454
5-ethyl-5-methyl-3-(2-methyloxolan-3-yl)-2-propan-2-ylimidazolidin-4-one
CID 83260746
1-(cyclohexylmethyl)-3-ethyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64901759
3,6-diethyl-3-methyl-1-[(3-methylcyclopentyl)methyl]piperazine-2,5-dione
CID 107415608
3-(1-cyclohexylethyl)-5-ethyl-5-methyl-2-propan-2-ylimidazolidin-4-one
CID 83255507

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-methyl-3-[(4-methylcyclohexyl)methyl]-2-propan-2-ylimidazolidin-4-one?
The IUPAC name of 5-ethyl-5-methyl-3-[(4-methylcyclohexyl)methyl]-2-propan-2-ylimidazolidin-4-one (CID 83254276) is 5-ethyl-5-methyl-3-[(4-methylcyclohexyl)methyl]-2-propan-2-ylimidazolidin-4-one.
What is the SMILES notation for 5-ethyl-5-methyl-3-[(4-methylcyclohexyl)methyl]-2-propan-2-ylimidazolidin-4-one?
The canonical SMILES for 5-ethyl-5-methyl-3-[(4-methylcyclohexyl)methyl]-2-propan-2-ylimidazolidin-4-one is CCC1(C)NC(C(C)C)N(CC2CCC(C)CC2)C1=O.
What is the InChIKey of 5-ethyl-5-methyl-3-[(4-methylcyclohexyl)methyl]-2-propan-2-ylimidazolidin-4-one?
The InChIKey is CEFWHEGFORYDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-6-17(5)16(20)19(15(18-17)12(2)3)11-14-9-7-13(4)8-10-14/h12-15,18H,6-11H2,1-5H3.
What are the key properties of 5-ethyl-5-methyl-3-[(4-methylcyclohexyl)methyl]-2-propan-2-ylimidazolidin-4-one?
5-ethyl-5-methyl-3-[(4-methylcyclohexyl)methyl]-2-propan-2-ylimidazolidin-4-one has a molecular weight of 280.46 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-methyl-3-[(4-methylcyclohexyl)methyl]-2-propan-2-ylimidazolidin-4-one is sourced from PubChem (CID 83254276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).