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

C18H36N2O3 — CID 14836215

IUPAC4,5-diethoxy-1-octyl-3-propylimidazolidin-2-one
SMILESCCCCCCCCN1C(=O)N(CCC)C(OCC)C1OCC
InChIInChI=1S/C18H36N2O3/c1-5-9-10-11-12-13-15-20-17(23-8-4)16(22-7-3)19(14-6-2)18(20)21/h16-17H,5-15H2,1-4H3
InChIKeyXEHMXHCYVZRQDW-UHFFFAOYSA-N
MW328.50 g/mol
LogP4.22
Rot. Bonds13

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

4,5-diethoxy-1-octyl-3-propylimidazolidin-2-one (PubChem CID 14836215) has the molecular formula C18H36N2O3 and a molecular weight of 328.50 g/mol. Its IUPAC name is 4,5-diethoxy-1-octyl-3-propylimidazolidin-2-one.

Molecular Properties

Compound Name4,5-diethoxy-1-octyl-3-propylimidazolidin-2-one
PubChem CID14836215
Molecular FormulaC18H36N2O3
Molecular Weight328.50 g/mol
Exact Mass328.27
IUPAC Name4,5-diethoxy-1-octyl-3-propylimidazolidin-2-one
SMILESCCCCCCCCN1C(=O)N(CCC)C(OCC)C1OCC
InChIInChI=1S/C18H36N2O3/c1-5-9-10-11-12-13-15-20-17(23-8-4)16(22-7-3)19(14-6-2)18(20)21/h16-17H,5-15H2,1-4H3
InChIKeyXEHMXHCYVZRQDW-UHFFFAOYSA-N
XLogP4.22
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 54.22
H-Bond Donors ≤ 50
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 4,5-diethoxy-1-octyl-3-propylimidazolidin-2-one?
The IUPAC name of 4,5-diethoxy-1-octyl-3-propylimidazolidin-2-one (CID 14836215) is 4,5-diethoxy-1-octyl-3-propylimidazolidin-2-one.
What is the SMILES notation for 4,5-diethoxy-1-octyl-3-propylimidazolidin-2-one?
The canonical SMILES for 4,5-diethoxy-1-octyl-3-propylimidazolidin-2-one is CCCCCCCCN1C(=O)N(CCC)C(OCC)C1OCC.
What is the InChIKey of 4,5-diethoxy-1-octyl-3-propylimidazolidin-2-one?
The InChIKey is XEHMXHCYVZRQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O3/c1-5-9-10-11-12-13-15-20-17(23-8-4)16(22-7-3)19(14-6-2)18(20)21/h16-17H,5-15H2,1-4H3.
What are the key properties of 4,5-diethoxy-1-octyl-3-propylimidazolidin-2-one?
4,5-diethoxy-1-octyl-3-propylimidazolidin-2-one has a molecular weight of 328.50 g/mol, XLogP of 4.22, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethoxy-1-octyl-3-propylimidazolidin-2-one is sourced from PubChem (CID 14836215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).