2-ethyl-3-(2-propan-2-ylcyclohexyl)-5-propylimidazolidin-4-one

C17H32N2O — CID 83259873

IUPAC2-ethyl-3-(2-propan-2-ylcyclohexyl)-5-propylimidazolidin-4-one
SMILESCCCC1NC(CC)N(C2CCCCC2C(C)C)C1=O
InChIInChI=1S/C17H32N2O/c1-5-9-14-17(20)19(16(6-2)18-14)15-11-8-7-10-13(15)12(3)4/h12-16,18H,5-11H2,1-4H3
InChIKeyLTCKDJGVTBWRMC-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.54
Rot. Bonds5

About 2-ethyl-3-(2-propan-2-ylcyclohexyl)-5-propylimidazolidin-4-one

2-ethyl-3-(2-propan-2-ylcyclohexyl)-5-propylimidazolidin-4-one (PubChem CID 83259873) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 2-ethyl-3-(2-propan-2-ylcyclohexyl)-5-propylimidazolidin-4-one.

Molecular Properties

Compound Name2-ethyl-3-(2-propan-2-ylcyclohexyl)-5-propylimidazolidin-4-one
PubChem CID83259873
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name2-ethyl-3-(2-propan-2-ylcyclohexyl)-5-propylimidazolidin-4-one
SMILESCCCC1NC(CC)N(C2CCCCC2C(C)C)C1=O
InChIInChI=1S/C17H32N2O/c1-5-9-14-17(20)19(16(6-2)18-14)15-11-8-7-10-13(15)12(3)4/h12-16,18H,5-11H2,1-4H3
InChIKeyLTCKDJGVTBWRMC-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(2-propan-2-ylcyclohexyl)-5-propylimidazolidin-4-one?
The IUPAC name of 2-ethyl-3-(2-propan-2-ylcyclohexyl)-5-propylimidazolidin-4-one (CID 83259873) is 2-ethyl-3-(2-propan-2-ylcyclohexyl)-5-propylimidazolidin-4-one.
What is the SMILES notation for 2-ethyl-3-(2-propan-2-ylcyclohexyl)-5-propylimidazolidin-4-one?
The canonical SMILES for 2-ethyl-3-(2-propan-2-ylcyclohexyl)-5-propylimidazolidin-4-one is CCCC1NC(CC)N(C2CCCCC2C(C)C)C1=O.
What is the InChIKey of 2-ethyl-3-(2-propan-2-ylcyclohexyl)-5-propylimidazolidin-4-one?
The InChIKey is LTCKDJGVTBWRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-5-9-14-17(20)19(16(6-2)18-14)15-11-8-7-10-13(15)12(3)4/h12-16,18H,5-11H2,1-4H3.
What are the key properties of 2-ethyl-3-(2-propan-2-ylcyclohexyl)-5-propylimidazolidin-4-one?
2-ethyl-3-(2-propan-2-ylcyclohexyl)-5-propylimidazolidin-4-one has a molecular weight of 280.46 g/mol, XLogP of 3.54, 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-propan-2-ylcyclohexyl)-5-propylimidazolidin-4-one is sourced from PubChem (CID 83259873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).