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

C17H32N2O — CID 83263281

IUPAC2-ethyl-3-[2-(4-methylcyclohexyl)ethyl]-5-propan-2-ylimidazolidin-4-one
SMILESCCC1NC(C(C)C)C(=O)N1CCC1CCC(C)CC1
InChIInChI=1S/C17H32N2O/c1-5-15-18-16(12(2)3)17(20)19(15)11-10-14-8-6-13(4)7-9-14/h12-16,18H,5-11H2,1-4H3
InChIKeyHUPICJHWQDJWPH-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.40
Rot. Bonds5

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

2-ethyl-3-[2-(4-methylcyclohexyl)ethyl]-5-propan-2-ylimidazolidin-4-one (PubChem CID 83263281) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 2-ethyl-3-[2-(4-methylcyclohexyl)ethyl]-5-propan-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name2-ethyl-3-[2-(4-methylcyclohexyl)ethyl]-5-propan-2-ylimidazolidin-4-one
PubChem CID83263281
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name2-ethyl-3-[2-(4-methylcyclohexyl)ethyl]-5-propan-2-ylimidazolidin-4-one
SMILESCCC1NC(C(C)C)C(=O)N1CCC1CCC(C)CC1
InChIInChI=1S/C17H32N2O/c1-5-15-18-16(12(2)3)17(20)19(15)11-10-14-8-6-13(4)7-9-14/h12-16,18H,5-11H2,1-4H3
InChIKeyHUPICJHWQDJWPH-UHFFFAOYSA-N
XLogP3.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

2-ethyl-3-[2-(4-methylcyclohexyl)ethyl]-5-(2-methylpropyl)imidazolidin-4-one
CID 83262817
3-[(4-methylcyclohexyl)methyl]-5-propan-2-yl-2-propylimidazolidin-4-one
CID 83254528
2-ethyl-3-pentyl-5-propan-2-ylimidazolidin-4-one
CID 83250549
2-ethyl-3-[2-(oxolan-2-yl)ethyl]-5-propan-2-ylimidazolidin-4-one
CID 83249092
3-(cyclobutylmethyl)-2-ethyl-5-propan-2-ylimidazolidin-4-one
CID 83243656
3-(2-butoxyethyl)-2-ethyl-5-propan-2-ylimidazolidin-4-one
CID 83253847
2-ethyl-5-methyl-3-[2-(1-methylpiperidin-4-yl)ethyl]imidazolidin-4-one
CID 114517098
2-ethyl-5-propan-2-yl-3-(2,2,3-trimethylbutyl)imidazolidin-4-one
CID 114102621
3-(2-cyclopropylethyl)-5-ethyl-2-propan-2-ylimidazolidin-4-one
CID 83258772
3-[2-(oxan-2-yl)ethyl]-5-propan-2-yl-2-propylimidazolidin-4-one
CID 106000051
5-propan-2-yl-3-(2-propan-2-yloxyethyl)-2-propylimidazolidin-4-one
CID 104767674
3-(5-methylhexyl)-5-propan-2-yl-2-propylimidazolidin-4-one
CID 83260431

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[2-(4-methylcyclohexyl)ethyl]-5-propan-2-ylimidazolidin-4-one?
The IUPAC name of 2-ethyl-3-[2-(4-methylcyclohexyl)ethyl]-5-propan-2-ylimidazolidin-4-one (CID 83263281) is 2-ethyl-3-[2-(4-methylcyclohexyl)ethyl]-5-propan-2-ylimidazolidin-4-one.
What is the SMILES notation for 2-ethyl-3-[2-(4-methylcyclohexyl)ethyl]-5-propan-2-ylimidazolidin-4-one?
The canonical SMILES for 2-ethyl-3-[2-(4-methylcyclohexyl)ethyl]-5-propan-2-ylimidazolidin-4-one is CCC1NC(C(C)C)C(=O)N1CCC1CCC(C)CC1.
What is the InChIKey of 2-ethyl-3-[2-(4-methylcyclohexyl)ethyl]-5-propan-2-ylimidazolidin-4-one?
The InChIKey is HUPICJHWQDJWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-5-15-18-16(12(2)3)17(20)19(15)11-10-14-8-6-13(4)7-9-14/h12-16,18H,5-11H2,1-4H3.
What are the key properties of 2-ethyl-3-[2-(4-methylcyclohexyl)ethyl]-5-propan-2-ylimidazolidin-4-one?
2-ethyl-3-[2-(4-methylcyclohexyl)ethyl]-5-propan-2-ylimidazolidin-4-one has a molecular weight of 280.46 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[2-(4-methylcyclohexyl)ethyl]-5-propan-2-ylimidazolidin-4-one is sourced from PubChem (CID 83263281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).