ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2H-imidazol-1-yl]acetate

C11H18N2O4 — CID 22220777

IUPACethyl 2-[3-(2-ethoxy-2-oxoethyl)-2H-imidazol-1-yl]acetate
SMILESCCOC(=O)CN1C=CN(CC(=O)OCC)C1
InChIInChI=1S/C11H18N2O4/c1-3-16-10(14)7-12-5-6-13(9-12)8-11(15)17-4-2/h5-6H,3-4,7-9H2,1-2H3
InChIKeyOYLAKOXWWRVVMB-UHFFFAOYSA-N
MW242.27 g/mol
LogP0.16
Rot. Bonds6

About ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2H-imidazol-1-yl]acetate

ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2H-imidazol-1-yl]acetate (PubChem CID 22220777) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2H-imidazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(2-ethoxy-2-oxoethyl)-2H-imidazol-1-yl]acetate
PubChem CID22220777
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Nameethyl 2-[3-(2-ethoxy-2-oxoethyl)-2H-imidazol-1-yl]acetate
SMILESCCOC(=O)CN1C=CN(CC(=O)OCC)C1
InChIInChI=1S/C11H18N2O4/c1-3-16-10(14)7-12-5-6-13(9-12)8-11(15)17-4-2/h5-6H,3-4,7-9H2,1-2H3
InChIKeyOYLAKOXWWRVVMB-UHFFFAOYSA-N
XLogP0.16
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2H-imidazol-1-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 ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2H-imidazol-1-yl]acetate?
The IUPAC name of ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2H-imidazol-1-yl]acetate (CID 22220777) is ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2H-imidazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2H-imidazol-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2H-imidazol-1-yl]acetate is CCOC(=O)CN1C=CN(CC(=O)OCC)C1.
What is the InChIKey of ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2H-imidazol-1-yl]acetate?
The InChIKey is OYLAKOXWWRVVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-3-16-10(14)7-12-5-6-13(9-12)8-11(15)17-4-2/h5-6H,3-4,7-9H2,1-2H3.
What are the key properties of ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2H-imidazol-1-yl]acetate?
ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2H-imidazol-1-yl]acetate has a molecular weight of 242.27 g/mol, XLogP of 0.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2H-imidazol-1-yl]acetate is sourced from PubChem (CID 22220777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).