3-(3-ethoxypropyl)-5-ethyl-5-methyl-2-phenylimidazolidin-4-one

C17H26N2O2 — CID 83233708

IUPAC3-(3-ethoxypropyl)-5-ethyl-5-methyl-2-phenylimidazolidin-4-one
SMILESCCOCCCN1C(=O)C(C)(CC)NC1c1ccccc1
InChIInChI=1S/C17H26N2O2/c1-4-17(3)16(20)19(12-9-13-21-5-2)15(18-17)14-10-7-6-8-11-14/h6-8,10-11,15,18H,4-5,9,12-13H2,1-3H3
InChIKeyUBPXPDFKQCRBSF-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.71
Rot. Bonds7

About 3-(3-ethoxypropyl)-5-ethyl-5-methyl-2-phenylimidazolidin-4-one

3-(3-ethoxypropyl)-5-ethyl-5-methyl-2-phenylimidazolidin-4-one (PubChem CID 83233708) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-(3-ethoxypropyl)-5-ethyl-5-methyl-2-phenylimidazolidin-4-one.

Molecular Properties

Compound Name3-(3-ethoxypropyl)-5-ethyl-5-methyl-2-phenylimidazolidin-4-one
PubChem CID83233708
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-(3-ethoxypropyl)-5-ethyl-5-methyl-2-phenylimidazolidin-4-one
SMILESCCOCCCN1C(=O)C(C)(CC)NC1c1ccccc1
InChIInChI=1S/C17H26N2O2/c1-4-17(3)16(20)19(12-9-13-21-5-2)15(18-17)14-10-7-6-8-11-14/h6-8,10-11,15,18H,4-5,9,12-13H2,1-3H3
InChIKeyUBPXPDFKQCRBSF-UHFFFAOYSA-N
XLogP2.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.71
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-(3-ethoxypropyl)-5-ethyl-5-methyl-2-phenylimidazolidin-4-one?
The IUPAC name of 3-(3-ethoxypropyl)-5-ethyl-5-methyl-2-phenylimidazolidin-4-one (CID 83233708) is 3-(3-ethoxypropyl)-5-ethyl-5-methyl-2-phenylimidazolidin-4-one.
What is the SMILES notation for 3-(3-ethoxypropyl)-5-ethyl-5-methyl-2-phenylimidazolidin-4-one?
The canonical SMILES for 3-(3-ethoxypropyl)-5-ethyl-5-methyl-2-phenylimidazolidin-4-one is CCOCCCN1C(=O)C(C)(CC)NC1c1ccccc1.
What is the InChIKey of 3-(3-ethoxypropyl)-5-ethyl-5-methyl-2-phenylimidazolidin-4-one?
The InChIKey is UBPXPDFKQCRBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-17(3)16(20)19(12-9-13-21-5-2)15(18-17)14-10-7-6-8-11-14/h6-8,10-11,15,18H,4-5,9,12-13H2,1-3H3.
What are the key properties of 3-(3-ethoxypropyl)-5-ethyl-5-methyl-2-phenylimidazolidin-4-one?
3-(3-ethoxypropyl)-5-ethyl-5-methyl-2-phenylimidazolidin-4-one has a molecular weight of 290.41 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxypropyl)-5-ethyl-5-methyl-2-phenylimidazolidin-4-one is sourced from PubChem (CID 83233708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).