3-(2-ethoxyethyl)-5-methyl-2-phenylimidazolidin-4-one

C14H20N2O2 — CID 83237246

IUPAC3-(2-ethoxyethyl)-5-methyl-2-phenylimidazolidin-4-one
SMILESCCOCCN1C(=O)C(C)NC1c1ccccc1
InChIInChI=1S/C14H20N2O2/c1-3-18-10-9-16-13(15-11(2)14(16)17)12-7-5-4-6-8-12/h4-8,11,13,15H,3,9-10H2,1-2H3
InChIKeyWQAOYLVUYUVCST-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.54
Rot. Bonds5

About 3-(2-ethoxyethyl)-5-methyl-2-phenylimidazolidin-4-one

3-(2-ethoxyethyl)-5-methyl-2-phenylimidazolidin-4-one (PubChem CID 83237246) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-(2-ethoxyethyl)-5-methyl-2-phenylimidazolidin-4-one.

Molecular Properties

Compound Name3-(2-ethoxyethyl)-5-methyl-2-phenylimidazolidin-4-one
PubChem CID83237246
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-(2-ethoxyethyl)-5-methyl-2-phenylimidazolidin-4-one
SMILESCCOCCN1C(=O)C(C)NC1c1ccccc1
InChIInChI=1S/C14H20N2O2/c1-3-18-10-9-16-13(15-11(2)14(16)17)12-7-5-4-6-8-12/h4-8,11,13,15H,3,9-10H2,1-2H3
InChIKeyWQAOYLVUYUVCST-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
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 3-(2-ethoxyethyl)-5-methyl-2-phenylimidazolidin-4-one?
The IUPAC name of 3-(2-ethoxyethyl)-5-methyl-2-phenylimidazolidin-4-one (CID 83237246) is 3-(2-ethoxyethyl)-5-methyl-2-phenylimidazolidin-4-one.
What is the SMILES notation for 3-(2-ethoxyethyl)-5-methyl-2-phenylimidazolidin-4-one?
The canonical SMILES for 3-(2-ethoxyethyl)-5-methyl-2-phenylimidazolidin-4-one is CCOCCN1C(=O)C(C)NC1c1ccccc1.
What is the InChIKey of 3-(2-ethoxyethyl)-5-methyl-2-phenylimidazolidin-4-one?
The InChIKey is WQAOYLVUYUVCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-18-10-9-16-13(15-11(2)14(16)17)12-7-5-4-6-8-12/h4-8,11,13,15H,3,9-10H2,1-2H3.
What are the key properties of 3-(2-ethoxyethyl)-5-methyl-2-phenylimidazolidin-4-one?
3-(2-ethoxyethyl)-5-methyl-2-phenylimidazolidin-4-one has a molecular weight of 248.33 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethyl)-5-methyl-2-phenylimidazolidin-4-one is sourced from PubChem (CID 83237246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).