5-butyl-3-(3-methoxypropyl)-2-propylimidazolidin-4-one

C14H28N2O2 — CID 83243884

IUPAC5-butyl-3-(3-methoxypropyl)-2-propylimidazolidin-4-one
SMILESCCCCC1NC(CCC)N(CCCOC)C1=O
InChIInChI=1S/C14H28N2O2/c1-4-6-9-12-14(17)16(10-7-11-18-3)13(15-12)8-5-2/h12-13,15H,4-11H2,1-3H3
InChIKeyLXAAATRDERQGTP-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.14
Rot. Bonds9

About 5-butyl-3-(3-methoxypropyl)-2-propylimidazolidin-4-one

5-butyl-3-(3-methoxypropyl)-2-propylimidazolidin-4-one (PubChem CID 83243884) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 5-butyl-3-(3-methoxypropyl)-2-propylimidazolidin-4-one.

Molecular Properties

Compound Name5-butyl-3-(3-methoxypropyl)-2-propylimidazolidin-4-one
PubChem CID83243884
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name5-butyl-3-(3-methoxypropyl)-2-propylimidazolidin-4-one
SMILESCCCCC1NC(CCC)N(CCCOC)C1=O
InChIInChI=1S/C14H28N2O2/c1-4-6-9-12-14(17)16(10-7-11-18-3)13(15-12)8-5-2/h12-13,15H,4-11H2,1-3H3
InChIKeyLXAAATRDERQGTP-UHFFFAOYSA-N
XLogP2.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-butyl-3-(3-methoxypropyl)-2-propylimidazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-(3-methoxypropyl)-2-propylimidazolidin-4-one?
The IUPAC name of 5-butyl-3-(3-methoxypropyl)-2-propylimidazolidin-4-one (CID 83243884) is 5-butyl-3-(3-methoxypropyl)-2-propylimidazolidin-4-one.
What is the SMILES notation for 5-butyl-3-(3-methoxypropyl)-2-propylimidazolidin-4-one?
The canonical SMILES for 5-butyl-3-(3-methoxypropyl)-2-propylimidazolidin-4-one is CCCCC1NC(CCC)N(CCCOC)C1=O.
What is the InChIKey of 5-butyl-3-(3-methoxypropyl)-2-propylimidazolidin-4-one?
The InChIKey is LXAAATRDERQGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-4-6-9-12-14(17)16(10-7-11-18-3)13(15-12)8-5-2/h12-13,15H,4-11H2,1-3H3.
What are the key properties of 5-butyl-3-(3-methoxypropyl)-2-propylimidazolidin-4-one?
5-butyl-3-(3-methoxypropyl)-2-propylimidazolidin-4-one has a molecular weight of 256.39 g/mol, XLogP of 2.14, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-(3-methoxypropyl)-2-propylimidazolidin-4-one is sourced from PubChem (CID 83243884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).