ethyl 2-[3-(2-ethoxy-2-oxoethyl)-5-[(4-hydroxyphenyl)methyl]-2,4-dioxoimidazolidin-1-yl]acetate

C18H22N2O7 — CID 46249361

IUPACethyl 2-[3-(2-ethoxy-2-oxoethyl)-5-[(4-hydroxyphenyl)methyl]-2,4-dioxoimidazolidin-1-yl]acetate
SMILESCCOC(=O)CN1C(=O)C(Cc2ccc(O)cc2)N(CC(=O)OCC)C1=O
InChIInChI=1S/C18H22N2O7/c1-3-26-15(22)10-19-14(9-12-5-7-13(21)8-6-12)17(24)20(18(19)25)11-16(23)27-4-2/h5-8,14,21H,3-4,9-11H2,1-2H3
InChIKeyIFLXWZKSANXALM-UHFFFAOYSA-N
MW378.38 g/mol
LogP0.69
Rot. Bonds8

About ethyl 2-[3-(2-ethoxy-2-oxoethyl)-5-[(4-hydroxyphenyl)methyl]-2,4-dioxoimidazolidin-1-yl]acetate

ethyl 2-[3-(2-ethoxy-2-oxoethyl)-5-[(4-hydroxyphenyl)methyl]-2,4-dioxoimidazolidin-1-yl]acetate (PubChem CID 46249361) has the molecular formula C18H22N2O7 and a molecular weight of 378.38 g/mol. Its IUPAC name is ethyl 2-[3-(2-ethoxy-2-oxoethyl)-5-[(4-hydroxyphenyl)methyl]-2,4-dioxoimidazolidin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(2-ethoxy-2-oxoethyl)-5-[(4-hydroxyphenyl)methyl]-2,4-dioxoimidazolidin-1-yl]acetate
PubChem CID46249361
Molecular FormulaC18H22N2O7
Molecular Weight378.38 g/mol
Exact Mass378.14
IUPAC Nameethyl 2-[3-(2-ethoxy-2-oxoethyl)-5-[(4-hydroxyphenyl)methyl]-2,4-dioxoimidazolidin-1-yl]acetate
SMILESCCOC(=O)CN1C(=O)C(Cc2ccc(O)cc2)N(CC(=O)OCC)C1=O
InChIInChI=1S/C18H22N2O7/c1-3-26-15(22)10-19-14(9-12-5-7-13(21)8-6-12)17(24)20(18(19)25)11-16(23)27-4-2/h5-8,14,21H,3-4,9-11H2,1-2H3
InChIKeyIFLXWZKSANXALM-UHFFFAOYSA-N
XLogP0.69
TPSA113.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze ethyl 2-[3-(2-ethoxy-2-oxoethyl)-5-[(4-hydroxyphenyl)methyl]-2,4-dioxoimidazolidin-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)-5-[(4-hydroxyphenyl)methyl]-2,4-dioxoimidazolidin-1-yl]acetate?
The IUPAC name of ethyl 2-[3-(2-ethoxy-2-oxoethyl)-5-[(4-hydroxyphenyl)methyl]-2,4-dioxoimidazolidin-1-yl]acetate (CID 46249361) is ethyl 2-[3-(2-ethoxy-2-oxoethyl)-5-[(4-hydroxyphenyl)methyl]-2,4-dioxoimidazolidin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-(2-ethoxy-2-oxoethyl)-5-[(4-hydroxyphenyl)methyl]-2,4-dioxoimidazolidin-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-(2-ethoxy-2-oxoethyl)-5-[(4-hydroxyphenyl)methyl]-2,4-dioxoimidazolidin-1-yl]acetate is CCOC(=O)CN1C(=O)C(Cc2ccc(O)cc2)N(CC(=O)OCC)C1=O.
What is the InChIKey of ethyl 2-[3-(2-ethoxy-2-oxoethyl)-5-[(4-hydroxyphenyl)methyl]-2,4-dioxoimidazolidin-1-yl]acetate?
The InChIKey is IFLXWZKSANXALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O7/c1-3-26-15(22)10-19-14(9-12-5-7-13(21)8-6-12)17(24)20(18(19)25)11-16(23)27-4-2/h5-8,14,21H,3-4,9-11H2,1-2H3.
What are the key properties of ethyl 2-[3-(2-ethoxy-2-oxoethyl)-5-[(4-hydroxyphenyl)methyl]-2,4-dioxoimidazolidin-1-yl]acetate?
ethyl 2-[3-(2-ethoxy-2-oxoethyl)-5-[(4-hydroxyphenyl)methyl]-2,4-dioxoimidazolidin-1-yl]acetate has a molecular weight of 378.38 g/mol, XLogP of 0.69, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(2-ethoxy-2-oxoethyl)-5-[(4-hydroxyphenyl)methyl]-2,4-dioxoimidazolidin-1-yl]acetate is sourced from PubChem (CID 46249361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).