2-(2,4-dimethylphenyl)-3-(2-ethoxyethyl)-5-methylimidazolidin-4-one

C16H24N2O2 — CID 83237112

IUPAC2-(2,4-dimethylphenyl)-3-(2-ethoxyethyl)-5-methylimidazolidin-4-one
SMILESCCOCCN1C(=O)C(C)NC1c1ccc(C)cc1C
InChIInChI=1S/C16H24N2O2/c1-5-20-9-8-18-15(17-13(4)16(18)19)14-7-6-11(2)10-12(14)3/h6-7,10,13,15,17H,5,8-9H2,1-4H3
InChIKeyOYWDGIJUCAUSNJ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.16
Rot. Bonds5

About 2-(2,4-dimethylphenyl)-3-(2-ethoxyethyl)-5-methylimidazolidin-4-one

2-(2,4-dimethylphenyl)-3-(2-ethoxyethyl)-5-methylimidazolidin-4-one (PubChem CID 83237112) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-3-(2-ethoxyethyl)-5-methylimidazolidin-4-one.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-3-(2-ethoxyethyl)-5-methylimidazolidin-4-one
PubChem CID83237112
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-(2,4-dimethylphenyl)-3-(2-ethoxyethyl)-5-methylimidazolidin-4-one
SMILESCCOCCN1C(=O)C(C)NC1c1ccc(C)cc1C
InChIInChI=1S/C16H24N2O2/c1-5-20-9-8-18-15(17-13(4)16(18)19)14-7-6-11(2)10-12(14)3/h6-7,10,13,15,17H,5,8-9H2,1-4H3
InChIKeyOYWDGIJUCAUSNJ-UHFFFAOYSA-N
XLogP2.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-3-(2-ethoxyethyl)-5-methylimidazolidin-4-one?
The IUPAC name of 2-(2,4-dimethylphenyl)-3-(2-ethoxyethyl)-5-methylimidazolidin-4-one (CID 83237112) is 2-(2,4-dimethylphenyl)-3-(2-ethoxyethyl)-5-methylimidazolidin-4-one.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-3-(2-ethoxyethyl)-5-methylimidazolidin-4-one?
The canonical SMILES for 2-(2,4-dimethylphenyl)-3-(2-ethoxyethyl)-5-methylimidazolidin-4-one is CCOCCN1C(=O)C(C)NC1c1ccc(C)cc1C.
What is the InChIKey of 2-(2,4-dimethylphenyl)-3-(2-ethoxyethyl)-5-methylimidazolidin-4-one?
The InChIKey is OYWDGIJUCAUSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-5-20-9-8-18-15(17-13(4)16(18)19)14-7-6-11(2)10-12(14)3/h6-7,10,13,15,17H,5,8-9H2,1-4H3.
What are the key properties of 2-(2,4-dimethylphenyl)-3-(2-ethoxyethyl)-5-methylimidazolidin-4-one?
2-(2,4-dimethylphenyl)-3-(2-ethoxyethyl)-5-methylimidazolidin-4-one has a molecular weight of 276.38 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-3-(2-ethoxyethyl)-5-methylimidazolidin-4-one is sourced from PubChem (CID 83237112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).