ethyl 4-[2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)ethoxy]benzoate

C17H22N2O5 — CID 110187003

IUPACethyl 4-[2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)ethoxy]benzoate
SMILESCCOC(=O)c1ccc(OCCN2C(=O)NC(C(C)C)C2=O)cc1
InChIInChI=1S/C17H22N2O5/c1-4-23-16(21)12-5-7-13(8-6-12)24-10-9-19-15(20)14(11(2)3)18-17(19)22/h5-8,11,14H,4,9-10H2,1-3H3,(H,18,22)
InChIKeyBDUMYXFDLHJAOQ-UHFFFAOYSA-N
MW334.37 g/mol
LogP1.82
Rot. Bonds7

About ethyl 4-[2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)ethoxy]benzoate

ethyl 4-[2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)ethoxy]benzoate (PubChem CID 110187003) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is ethyl 4-[2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)ethoxy]benzoate.

Molecular Properties

Compound Nameethyl 4-[2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)ethoxy]benzoate
PubChem CID110187003
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Nameethyl 4-[2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)ethoxy]benzoate
SMILESCCOC(=O)c1ccc(OCCN2C(=O)NC(C(C)C)C2=O)cc1
InChIInChI=1S/C17H22N2O5/c1-4-23-16(21)12-5-7-13(8-6-12)24-10-9-19-15(20)14(11(2)3)18-17(19)22/h5-8,11,14H,4,9-10H2,1-3H3,(H,18,22)
InChIKeyBDUMYXFDLHJAOQ-UHFFFAOYSA-N
XLogP1.82
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)ethoxy]benzoate?
The IUPAC name of ethyl 4-[2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)ethoxy]benzoate (CID 110187003) is ethyl 4-[2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)ethoxy]benzoate.
What is the SMILES notation for ethyl 4-[2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)ethoxy]benzoate?
The canonical SMILES for ethyl 4-[2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)ethoxy]benzoate is CCOC(=O)c1ccc(OCCN2C(=O)NC(C(C)C)C2=O)cc1.
What is the InChIKey of ethyl 4-[2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)ethoxy]benzoate?
The InChIKey is BDUMYXFDLHJAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-4-23-16(21)12-5-7-13(8-6-12)24-10-9-19-15(20)14(11(2)3)18-17(19)22/h5-8,11,14H,4,9-10H2,1-3H3,(H,18,22).
What are the key properties of ethyl 4-[2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)ethoxy]benzoate?
ethyl 4-[2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)ethoxy]benzoate has a molecular weight of 334.37 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(2,5-dioxo-4-propan-2-ylimidazolidin-1-yl)ethoxy]benzoate is sourced from PubChem (CID 110187003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).