3-(4-methoxybutyl)-5-methyl-2-propylimidazolidin-4-one

C12H24N2O2 — CID 83246899

IUPAC3-(4-methoxybutyl)-5-methyl-2-propylimidazolidin-4-one
SMILESCCCC1NC(C)C(=O)N1CCCCOC
InChIInChI=1S/C12H24N2O2/c1-4-7-11-13-10(2)12(15)14(11)8-5-6-9-16-3/h10-11,13H,4-9H2,1-3H3
InChIKeyCCOALKOTQZTYFC-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.36
Rot. Bonds7

About 3-(4-methoxybutyl)-5-methyl-2-propylimidazolidin-4-one

3-(4-methoxybutyl)-5-methyl-2-propylimidazolidin-4-one (PubChem CID 83246899) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-(4-methoxybutyl)-5-methyl-2-propylimidazolidin-4-one.

Molecular Properties

Compound Name3-(4-methoxybutyl)-5-methyl-2-propylimidazolidin-4-one
PubChem CID83246899
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3-(4-methoxybutyl)-5-methyl-2-propylimidazolidin-4-one
SMILESCCCC1NC(C)C(=O)N1CCCCOC
InChIInChI=1S/C12H24N2O2/c1-4-7-11-13-10(2)12(15)14(11)8-5-6-9-16-3/h10-11,13H,4-9H2,1-3H3
InChIKeyCCOALKOTQZTYFC-UHFFFAOYSA-N
XLogP1.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.36
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-(4-methoxybutyl)-5-methyl-2-propylimidazolidin-4-one?
The IUPAC name of 3-(4-methoxybutyl)-5-methyl-2-propylimidazolidin-4-one (CID 83246899) is 3-(4-methoxybutyl)-5-methyl-2-propylimidazolidin-4-one.
What is the SMILES notation for 3-(4-methoxybutyl)-5-methyl-2-propylimidazolidin-4-one?
The canonical SMILES for 3-(4-methoxybutyl)-5-methyl-2-propylimidazolidin-4-one is CCCC1NC(C)C(=O)N1CCCCOC.
What is the InChIKey of 3-(4-methoxybutyl)-5-methyl-2-propylimidazolidin-4-one?
The InChIKey is CCOALKOTQZTYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-7-11-13-10(2)12(15)14(11)8-5-6-9-16-3/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 3-(4-methoxybutyl)-5-methyl-2-propylimidazolidin-4-one?
3-(4-methoxybutyl)-5-methyl-2-propylimidazolidin-4-one has a molecular weight of 228.34 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxybutyl)-5-methyl-2-propylimidazolidin-4-one is sourced from PubChem (CID 83246899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).