3-(1-cyclohexylethyl)-5-ethyl-5-methyl-2-propan-2-ylimidazolidin-4-one

C17H32N2O — CID 83255507

IUPAC3-(1-cyclohexylethyl)-5-ethyl-5-methyl-2-propan-2-ylimidazolidin-4-one
SMILESCCC1(C)NC(C(C)C)N(C(C)C2CCCCC2)C1=O
InChIInChI=1S/C17H32N2O/c1-6-17(5)16(20)19(15(18-17)12(2)3)13(4)14-10-8-7-9-11-14/h12-15,18H,6-11H2,1-5H3
InChIKeyVXSZWHAWIRKWCT-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.54
Rot. Bonds4

About 3-(1-cyclohexylethyl)-5-ethyl-5-methyl-2-propan-2-ylimidazolidin-4-one

3-(1-cyclohexylethyl)-5-ethyl-5-methyl-2-propan-2-ylimidazolidin-4-one (PubChem CID 83255507) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 3-(1-cyclohexylethyl)-5-ethyl-5-methyl-2-propan-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name3-(1-cyclohexylethyl)-5-ethyl-5-methyl-2-propan-2-ylimidazolidin-4-one
PubChem CID83255507
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name3-(1-cyclohexylethyl)-5-ethyl-5-methyl-2-propan-2-ylimidazolidin-4-one
SMILESCCC1(C)NC(C(C)C)N(C(C)C2CCCCC2)C1=O
InChIInChI=1S/C17H32N2O/c1-6-17(5)16(20)19(15(18-17)12(2)3)13(4)14-10-8-7-9-11-14/h12-15,18H,6-11H2,1-5H3
InChIKeyVXSZWHAWIRKWCT-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-cyclopropylethyl)-5-ethyl-5-methyl-2-propan-2-ylimidazolidin-4-one
CID 83244454
1-(1-cyclopropylethyl)-3-ethyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64960516
3-(1-cyclohexylpropyl)-5-ethyl-5-methyl-2-propylimidazolidin-4-one
CID 83249303
3-(1-cyclohexylethyl)-5-methyl-2-propan-2-ylimidazolidin-4-one
CID 83255331
5-ethyl-5-methyl-3-(2-methylpropyl)-2-propan-2-ylimidazolidin-4-one
CID 83243083
3-(1-cyclopropylethyl)-5-ethyl-2-(3-fluorophenyl)-5-methylimidazolidin-4-one
CID 83244740
1-(1-cyclohexylethyl)-3,3,6-trimethylpiperazine-2,5-dione
CID 64969145
2-cyclopentyl-5-ethyl-5-methyl-3-pentan-2-ylimidazolidin-4-one
CID 83239474
5-ethyl-5-methyl-2-propan-2-yl-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one
CID 83252393
5-ethyl-5-methyl-3-(oxolan-2-ylmethyl)-2-propan-2-ylimidazolidin-4-one
CID 83250968
5-ethyl-5-methyl-3-(oxan-3-yl)-2-propan-2-ylimidazolidin-4-one
CID 83262917
5-ethyl-5-methyl-3-[(4-methylcyclohexyl)methyl]-2-propan-2-ylimidazolidin-4-one
CID 83254276

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclohexylethyl)-5-ethyl-5-methyl-2-propan-2-ylimidazolidin-4-one?
The IUPAC name of 3-(1-cyclohexylethyl)-5-ethyl-5-methyl-2-propan-2-ylimidazolidin-4-one (CID 83255507) is 3-(1-cyclohexylethyl)-5-ethyl-5-methyl-2-propan-2-ylimidazolidin-4-one.
What is the SMILES notation for 3-(1-cyclohexylethyl)-5-ethyl-5-methyl-2-propan-2-ylimidazolidin-4-one?
The canonical SMILES for 3-(1-cyclohexylethyl)-5-ethyl-5-methyl-2-propan-2-ylimidazolidin-4-one is CCC1(C)NC(C(C)C)N(C(C)C2CCCCC2)C1=O.
What is the InChIKey of 3-(1-cyclohexylethyl)-5-ethyl-5-methyl-2-propan-2-ylimidazolidin-4-one?
The InChIKey is VXSZWHAWIRKWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-6-17(5)16(20)19(15(18-17)12(2)3)13(4)14-10-8-7-9-11-14/h12-15,18H,6-11H2,1-5H3.
What are the key properties of 3-(1-cyclohexylethyl)-5-ethyl-5-methyl-2-propan-2-ylimidazolidin-4-one?
3-(1-cyclohexylethyl)-5-ethyl-5-methyl-2-propan-2-ylimidazolidin-4-one has a molecular weight of 280.46 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclohexylethyl)-5-ethyl-5-methyl-2-propan-2-ylimidazolidin-4-one is sourced from PubChem (CID 83255507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).