5-butan-2-yl-3-(4-methoxybutyl)-2-propylimidazolidin-4-one

C15H30N2O2 — CID 83247429

IUPAC5-butan-2-yl-3-(4-methoxybutyl)-2-propylimidazolidin-4-one
SMILESCCCC1NC(C(C)CC)C(=O)N1CCCCOC
InChIInChI=1S/C15H30N2O2/c1-5-9-13-16-14(12(3)6-2)15(18)17(13)10-7-8-11-19-4/h12-14,16H,5-11H2,1-4H3
InChIKeyKSWRDBDQBLMVPJ-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.39
Rot. Bonds9

About 5-butan-2-yl-3-(4-methoxybutyl)-2-propylimidazolidin-4-one

5-butan-2-yl-3-(4-methoxybutyl)-2-propylimidazolidin-4-one (PubChem CID 83247429) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 5-butan-2-yl-3-(4-methoxybutyl)-2-propylimidazolidin-4-one.

Molecular Properties

Compound Name5-butan-2-yl-3-(4-methoxybutyl)-2-propylimidazolidin-4-one
PubChem CID83247429
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name5-butan-2-yl-3-(4-methoxybutyl)-2-propylimidazolidin-4-one
SMILESCCCC1NC(C(C)CC)C(=O)N1CCCCOC
InChIInChI=1S/C15H30N2O2/c1-5-9-13-16-14(12(3)6-2)15(18)17(13)10-7-8-11-19-4/h12-14,16H,5-11H2,1-4H3
InChIKeyKSWRDBDQBLMVPJ-UHFFFAOYSA-N
XLogP2.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.39
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-(4-methoxybutyl)-5-methyl-2-propylimidazolidin-4-one
CID 83246899
5-butan-2-yl-3-[2-[methyl(propan-2-yl)amino]ethyl]-2-propylimidazolidin-4-one
CID 83253763
5-butan-2-yl-2-ethyl-3-[2-(2-methoxyethoxy)ethyl]imidazolidin-4-one
CID 83245523
5-butan-2-yl-3-[2-(dimethylamino)ethyl]-2-propylimidazolidin-4-one
CID 83250833
5-butan-2-yl-3-(2-methoxy-2-methylpropyl)-2-propylimidazolidin-4-one
CID 104767780
5-butan-2-yl-2-(2-methylpropyl)-3-pentylimidazolidin-4-one
CID 83250722
5-butan-2-yl-3-methyl-2-propylimidazolidin-4-one
CID 83260057
3-(5-methylhexyl)-5-propan-2-yl-2-propylimidazolidin-4-one
CID 83260431
5-butyl-3-(3-methoxypropyl)-2-propylimidazolidin-4-one
CID 83243884
5-butan-2-yl-3-(1-methoxy-3-methylbutan-2-yl)-2-propylimidazolidin-4-one
CID 83259061
5-butan-2-yl-3-(2-ethoxy-2-methylpropyl)-2-propylimidazolidin-4-one
CID 114944867
5-butan-2-yl-2-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]imidazolidin-4-one
CID 83254561

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-3-(4-methoxybutyl)-2-propylimidazolidin-4-one?
The IUPAC name of 5-butan-2-yl-3-(4-methoxybutyl)-2-propylimidazolidin-4-one (CID 83247429) is 5-butan-2-yl-3-(4-methoxybutyl)-2-propylimidazolidin-4-one.
What is the SMILES notation for 5-butan-2-yl-3-(4-methoxybutyl)-2-propylimidazolidin-4-one?
The canonical SMILES for 5-butan-2-yl-3-(4-methoxybutyl)-2-propylimidazolidin-4-one is CCCC1NC(C(C)CC)C(=O)N1CCCCOC.
What is the InChIKey of 5-butan-2-yl-3-(4-methoxybutyl)-2-propylimidazolidin-4-one?
The InChIKey is KSWRDBDQBLMVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-5-9-13-16-14(12(3)6-2)15(18)17(13)10-7-8-11-19-4/h12-14,16H,5-11H2,1-4H3.
What are the key properties of 5-butan-2-yl-3-(4-methoxybutyl)-2-propylimidazolidin-4-one?
5-butan-2-yl-3-(4-methoxybutyl)-2-propylimidazolidin-4-one has a molecular weight of 270.42 g/mol, XLogP of 2.39, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-3-(4-methoxybutyl)-2-propylimidazolidin-4-one is sourced from PubChem (CID 83247429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).