(5-acetyloxy-1,3-diethyl-2-oxoimidazolidin-4-yl) acetate

C11H18N2O5 — CID 5113021

IUPAC(5-acetyloxy-1,3-diethyl-2-oxoimidazolidin-4-yl) acetate
SMILESCCN1C(=O)N(CC)C(OC(C)=O)C1OC(C)=O
InChIInChI=1S/C11H18N2O5/c1-5-12-9(17-7(3)14)10(18-8(4)15)13(6-2)11(12)16/h9-10H,5-6H2,1-4H3
InChIKeyCMBOMSKDSWNIAR-UHFFFAOYSA-N
MW258.27 g/mol
LogP0.54
Rot. Bonds4

About (5-acetyloxy-1,3-diethyl-2-oxoimidazolidin-4-yl) acetate

(5-acetyloxy-1,3-diethyl-2-oxoimidazolidin-4-yl) acetate (PubChem CID 5113021) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is (5-acetyloxy-1,3-diethyl-2-oxoimidazolidin-4-yl) acetate.

Molecular Properties

Compound Name(5-acetyloxy-1,3-diethyl-2-oxoimidazolidin-4-yl) acetate
PubChem CID5113021
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name(5-acetyloxy-1,3-diethyl-2-oxoimidazolidin-4-yl) acetate
SMILESCCN1C(=O)N(CC)C(OC(C)=O)C1OC(C)=O
InChIInChI=1S/C11H18N2O5/c1-5-12-9(17-7(3)14)10(18-8(4)15)13(6-2)11(12)16/h9-10H,5-6H2,1-4H3
InChIKeyCMBOMSKDSWNIAR-UHFFFAOYSA-N
XLogP0.54
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5-acetyloxy-1,3-diethyl-2-oxoimidazolidin-4-yl) acetate 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-acetyloxy-1,3-diethyl-2-oxoimidazolidin-4-yl) acetate?
The IUPAC name of (5-acetyloxy-1,3-diethyl-2-oxoimidazolidin-4-yl) acetate (CID 5113021) is (5-acetyloxy-1,3-diethyl-2-oxoimidazolidin-4-yl) acetate.
What is the SMILES notation for (5-acetyloxy-1,3-diethyl-2-oxoimidazolidin-4-yl) acetate?
The canonical SMILES for (5-acetyloxy-1,3-diethyl-2-oxoimidazolidin-4-yl) acetate is CCN1C(=O)N(CC)C(OC(C)=O)C1OC(C)=O.
What is the InChIKey of (5-acetyloxy-1,3-diethyl-2-oxoimidazolidin-4-yl) acetate?
The InChIKey is CMBOMSKDSWNIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5/c1-5-12-9(17-7(3)14)10(18-8(4)15)13(6-2)11(12)16/h9-10H,5-6H2,1-4H3.
What are the key properties of (5-acetyloxy-1,3-diethyl-2-oxoimidazolidin-4-yl) acetate?
(5-acetyloxy-1,3-diethyl-2-oxoimidazolidin-4-yl) acetate has a molecular weight of 258.27 g/mol, XLogP of 0.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetyloxy-1,3-diethyl-2-oxoimidazolidin-4-yl) acetate is sourced from PubChem (CID 5113021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).