3-(3-ethoxypropyl)-2-(3-methoxyphenyl)-5-methylimidazolidin-4-one

C16H24N2O3 — CID 83233721

IUPAC3-(3-ethoxypropyl)-2-(3-methoxyphenyl)-5-methylimidazolidin-4-one
SMILESCCOCCCN1C(=O)C(C)NC1c1cccc(OC)c1
InChIInChI=1S/C16H24N2O3/c1-4-21-10-6-9-18-15(17-12(2)16(18)19)13-7-5-8-14(11-13)20-3/h5,7-8,11-12,15,17H,4,6,9-10H2,1-3H3
InChIKeyLOGXDOVJDNQFMO-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.94
Rot. Bonds7

About 3-(3-ethoxypropyl)-2-(3-methoxyphenyl)-5-methylimidazolidin-4-one

3-(3-ethoxypropyl)-2-(3-methoxyphenyl)-5-methylimidazolidin-4-one (PubChem CID 83233721) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-(3-ethoxypropyl)-2-(3-methoxyphenyl)-5-methylimidazolidin-4-one.

Molecular Properties

Compound Name3-(3-ethoxypropyl)-2-(3-methoxyphenyl)-5-methylimidazolidin-4-one
PubChem CID83233721
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-(3-ethoxypropyl)-2-(3-methoxyphenyl)-5-methylimidazolidin-4-one
SMILESCCOCCCN1C(=O)C(C)NC1c1cccc(OC)c1
InChIInChI=1S/C16H24N2O3/c1-4-21-10-6-9-18-15(17-12(2)16(18)19)13-7-5-8-14(11-13)20-3/h5,7-8,11-12,15,17H,4,6,9-10H2,1-3H3
InChIKeyLOGXDOVJDNQFMO-UHFFFAOYSA-N
XLogP1.94
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-2-(3-methoxyphenyl)-5-methylimidazolidin-4-one?
The IUPAC name of 3-(3-ethoxypropyl)-2-(3-methoxyphenyl)-5-methylimidazolidin-4-one (CID 83233721) is 3-(3-ethoxypropyl)-2-(3-methoxyphenyl)-5-methylimidazolidin-4-one.
What is the SMILES notation for 3-(3-ethoxypropyl)-2-(3-methoxyphenyl)-5-methylimidazolidin-4-one?
The canonical SMILES for 3-(3-ethoxypropyl)-2-(3-methoxyphenyl)-5-methylimidazolidin-4-one is CCOCCCN1C(=O)C(C)NC1c1cccc(OC)c1.
What is the InChIKey of 3-(3-ethoxypropyl)-2-(3-methoxyphenyl)-5-methylimidazolidin-4-one?
The InChIKey is LOGXDOVJDNQFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-21-10-6-9-18-15(17-12(2)16(18)19)13-7-5-8-14(11-13)20-3/h5,7-8,11-12,15,17H,4,6,9-10H2,1-3H3.
What are the key properties of 3-(3-ethoxypropyl)-2-(3-methoxyphenyl)-5-methylimidazolidin-4-one?
3-(3-ethoxypropyl)-2-(3-methoxyphenyl)-5-methylimidazolidin-4-one has a molecular weight of 292.38 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxypropyl)-2-(3-methoxyphenyl)-5-methylimidazolidin-4-one is sourced from PubChem (CID 83233721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).