3-(2-ethoxyethyl)-2-(4-methylphenyl)imidazolidin-4-one

C14H20N2O2 — CID 83238354

IUPAC3-(2-ethoxyethyl)-2-(4-methylphenyl)imidazolidin-4-one
SMILESCCOCCN1C(=O)CNC1c1ccc(C)cc1
InChIInChI=1S/C14H20N2O2/c1-3-18-9-8-16-13(17)10-15-14(16)12-6-4-11(2)5-7-12/h4-7,14-15H,3,8-10H2,1-2H3
InChIKeyLTIUGXDEXRPPDU-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.46
Rot. Bonds5

About 3-(2-ethoxyethyl)-2-(4-methylphenyl)imidazolidin-4-one

3-(2-ethoxyethyl)-2-(4-methylphenyl)imidazolidin-4-one (PubChem CID 83238354) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-(2-ethoxyethyl)-2-(4-methylphenyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-(2-ethoxyethyl)-2-(4-methylphenyl)imidazolidin-4-one
PubChem CID83238354
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-(2-ethoxyethyl)-2-(4-methylphenyl)imidazolidin-4-one
SMILESCCOCCN1C(=O)CNC1c1ccc(C)cc1
InChIInChI=1S/C14H20N2O2/c1-3-18-9-8-16-13(17)10-15-14(16)12-6-4-11(2)5-7-12/h4-7,14-15H,3,8-10H2,1-2H3
InChIKeyLTIUGXDEXRPPDU-UHFFFAOYSA-N
XLogP1.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.46
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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Related Compounds

3-(2-butoxyethyl)-2-(4-methylphenyl)imidazolidin-4-one
CID 83253672
3-(2-ethoxyethyl)-2-(4-propoxyphenyl)imidazolidin-4-one
CID 83232922
3-(2-ethoxyethyl)-2-(3-fluorophenyl)imidazolidin-4-one
CID 83237103
3-(2-ethoxyethyl)-5-methyl-2-(4-methylphenyl)imidazolidin-4-one
CID 83236973
2-(4-methylphenyl)-3-(3-methylsulfanylpropyl)imidazolidin-4-one
CID 83257494
2-(4-methylphenyl)-3-(4,4,4-trifluorobutyl)imidazolidin-4-one
CID 83259867
3-(3-ethoxypropyl)-2-thiophen-3-ylimidazolidin-4-one
CID 83238001
2-(4-propoxyphenyl)-3-propylimidazolidin-4-one
CID 115282100
2-(4-fluorophenyl)-3-(3-propoxypropyl)imidazolidin-4-one
CID 83260276
3-(2-methoxyethyl)-2-(4-propan-2-ylphenyl)imidazolidin-4-one
CID 115282239
3-(2-butoxyethyl)-2-(2,4-dimethylphenyl)imidazolidin-4-one
CID 83252968
2-phenyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one
CID 83264982

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethyl)-2-(4-methylphenyl)imidazolidin-4-one?
The IUPAC name of 3-(2-ethoxyethyl)-2-(4-methylphenyl)imidazolidin-4-one (CID 83238354) is 3-(2-ethoxyethyl)-2-(4-methylphenyl)imidazolidin-4-one.
What is the SMILES notation for 3-(2-ethoxyethyl)-2-(4-methylphenyl)imidazolidin-4-one?
The canonical SMILES for 3-(2-ethoxyethyl)-2-(4-methylphenyl)imidazolidin-4-one is CCOCCN1C(=O)CNC1c1ccc(C)cc1.
What is the InChIKey of 3-(2-ethoxyethyl)-2-(4-methylphenyl)imidazolidin-4-one?
The InChIKey is LTIUGXDEXRPPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-18-9-8-16-13(17)10-15-14(16)12-6-4-11(2)5-7-12/h4-7,14-15H,3,8-10H2,1-2H3.
What are the key properties of 3-(2-ethoxyethyl)-2-(4-methylphenyl)imidazolidin-4-one?
3-(2-ethoxyethyl)-2-(4-methylphenyl)imidazolidin-4-one has a molecular weight of 248.33 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethyl)-2-(4-methylphenyl)imidazolidin-4-one is sourced from PubChem (CID 83238354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).