3-[2-(2-aminophenoxy)ethyl]-1-methylimidazolidine-2,4-dione

C12H15N3O3 — CID 43365808

IUPAC3-[2-(2-aminophenoxy)ethyl]-1-methylimidazolidine-2,4-dione
SMILESCN1CC(=O)N(CCOc2ccccc2N)C1=O
InChIInChI=1S/C12H15N3O3/c1-14-8-11(16)15(12(14)17)6-7-18-10-5-3-2-4-9(10)13/h2-5H,6-8,13H2,1H3
InChIKeyRAGKDGMLRSXABE-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.54
Rot. Bonds4

About 3-[2-(2-aminophenoxy)ethyl]-1-methylimidazolidine-2,4-dione

3-[2-(2-aminophenoxy)ethyl]-1-methylimidazolidine-2,4-dione (PubChem CID 43365808) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 3-[2-(2-aminophenoxy)ethyl]-1-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(2-aminophenoxy)ethyl]-1-methylimidazolidine-2,4-dione
PubChem CID43365808
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name3-[2-(2-aminophenoxy)ethyl]-1-methylimidazolidine-2,4-dione
SMILESCN1CC(=O)N(CCOc2ccccc2N)C1=O
InChIInChI=1S/C12H15N3O3/c1-14-8-11(16)15(12(14)17)6-7-18-10-5-3-2-4-9(10)13/h2-5H,6-8,13H2,1H3
InChIKeyRAGKDGMLRSXABE-UHFFFAOYSA-N
XLogP0.54
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[3-[2-(aminomethyl)phenoxy]propyl]-1-methylimidazolidine-2,4-dione
CID 43253918
3-[2-(2-aminophenoxy)ethyl]imidazolidine-2,4-dione
CID 43365663
1-[2-(2-aminophenoxy)ethyl]-3-methylimidazol-2-one
CID 80579090
1-[2-(2-methylphenoxy)ethyl]pyrrolidine-2,5-dione
CID 82116147
2-[2-(3,4-dimethoxypyrrolidin-1-yl)ethoxy]aniline
CID 103531079
1-[2-(2-aminophenoxy)ethyl]-4-tert-butylpyrrolidin-2-one
CID 104510945
3-[2-amino-2-(2-methoxyphenyl)ethyl]-1-methylimidazolidine-2,4-dione
CID 43212262
2-[2-(azocan-1-yl)ethoxy]aniline
CID 43174279
3-[2-(2-aminophenoxy)ethyl]-1-methylpyrimidine-2,4-dione
CID 63799617
4-[2-(2-aminophenoxy)ethyl]piperazine-1-carbaldehyde
CID 82087161
1-[2-(2-ethoxyphenoxy)ethyl]piperazine-2,6-dione
CID 66061863
2-[2-(3,3-dimethoxyazetidin-1-yl)ethoxy]aniline
CID 79688995

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-aminophenoxy)ethyl]-1-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(2-aminophenoxy)ethyl]-1-methylimidazolidine-2,4-dione (CID 43365808) is 3-[2-(2-aminophenoxy)ethyl]-1-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(2-aminophenoxy)ethyl]-1-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(2-aminophenoxy)ethyl]-1-methylimidazolidine-2,4-dione is CN1CC(=O)N(CCOc2ccccc2N)C1=O.
What is the InChIKey of 3-[2-(2-aminophenoxy)ethyl]-1-methylimidazolidine-2,4-dione?
The InChIKey is RAGKDGMLRSXABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-14-8-11(16)15(12(14)17)6-7-18-10-5-3-2-4-9(10)13/h2-5H,6-8,13H2,1H3.
What are the key properties of 3-[2-(2-aminophenoxy)ethyl]-1-methylimidazolidine-2,4-dione?
3-[2-(2-aminophenoxy)ethyl]-1-methylimidazolidine-2,4-dione has a molecular weight of 249.27 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-aminophenoxy)ethyl]-1-methylimidazolidine-2,4-dione is sourced from PubChem (CID 43365808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).