1-butyl-4,5-diethoxy-3-propylimidazolidin-2-one

C14H28N2O3 — CID 14836213

IUPAC1-butyl-4,5-diethoxy-3-propylimidazolidin-2-one
SMILESCCCCN1C(=O)N(CCC)C(OCC)C1OCC
InChIInChI=1S/C14H28N2O3/c1-5-9-11-16-13(19-8-4)12(18-7-3)15(10-6-2)14(16)17/h12-13H,5-11H2,1-4H3
InChIKeyHRHSCCYCNLGLLV-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.66
Rot. Bonds9

About 1-butyl-4,5-diethoxy-3-propylimidazolidin-2-one

1-butyl-4,5-diethoxy-3-propylimidazolidin-2-one (PubChem CID 14836213) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-butyl-4,5-diethoxy-3-propylimidazolidin-2-one.

Molecular Properties

Compound Name1-butyl-4,5-diethoxy-3-propylimidazolidin-2-one
PubChem CID14836213
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name1-butyl-4,5-diethoxy-3-propylimidazolidin-2-one
SMILESCCCCN1C(=O)N(CCC)C(OCC)C1OCC
InChIInChI=1S/C14H28N2O3/c1-5-9-11-16-13(19-8-4)12(18-7-3)15(10-6-2)14(16)17/h12-13H,5-11H2,1-4H3
InChIKeyHRHSCCYCNLGLLV-UHFFFAOYSA-N
XLogP2.66
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-butyl-4,5-diethoxy-3-propylimidazolidin-2-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 1-butyl-4,5-diethoxy-3-propylimidazolidin-2-one?
The IUPAC name of 1-butyl-4,5-diethoxy-3-propylimidazolidin-2-one (CID 14836213) is 1-butyl-4,5-diethoxy-3-propylimidazolidin-2-one.
What is the SMILES notation for 1-butyl-4,5-diethoxy-3-propylimidazolidin-2-one?
The canonical SMILES for 1-butyl-4,5-diethoxy-3-propylimidazolidin-2-one is CCCCN1C(=O)N(CCC)C(OCC)C1OCC.
What is the InChIKey of 1-butyl-4,5-diethoxy-3-propylimidazolidin-2-one?
The InChIKey is HRHSCCYCNLGLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-5-9-11-16-13(19-8-4)12(18-7-3)15(10-6-2)14(16)17/h12-13H,5-11H2,1-4H3.
What are the key properties of 1-butyl-4,5-diethoxy-3-propylimidazolidin-2-one?
1-butyl-4,5-diethoxy-3-propylimidazolidin-2-one has a molecular weight of 272.39 g/mol, XLogP of 2.66, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4,5-diethoxy-3-propylimidazolidin-2-one is sourced from PubChem (CID 14836213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).