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

C11H13N3O3 — CID 43365663

IUPAC3-[2-(2-aminophenoxy)ethyl]imidazolidine-2,4-dione
SMILESNc1ccccc1OCCN1C(=O)CNC1=O
InChIInChI=1S/C11H13N3O3/c12-8-3-1-2-4-9(8)17-6-5-14-10(15)7-13-11(14)16/h1-4H,5-7,12H2,(H,13,16)
InChIKeyIKINZBAGHCUUSC-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.20
Rot. Bonds4

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

3-[2-(2-aminophenoxy)ethyl]imidazolidine-2,4-dione (PubChem CID 43365663) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 3-[2-(2-aminophenoxy)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(2-aminophenoxy)ethyl]imidazolidine-2,4-dione
PubChem CID43365663
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name3-[2-(2-aminophenoxy)ethyl]imidazolidine-2,4-dione
SMILESNc1ccccc1OCCN1C(=O)CNC1=O
InChIInChI=1S/C11H13N3O3/c12-8-3-1-2-4-9(8)17-6-5-14-10(15)7-13-11(14)16/h1-4H,5-7,12H2,(H,13,16)
InChIKeyIKINZBAGHCUUSC-UHFFFAOYSA-N
XLogP0.20
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.20
H-Bond Donors ≤ 52
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-[2-(2-aminophenoxy)ethyl]-1-methylimidazolidine-2,4-dione
CID 43365808
3-(2-phenylmethoxyethyl)imidazolidine-2,4-dione
CID 19829208
1-[2-(2-ethoxyphenoxy)ethyl]piperazine-2,6-dione
CID 66061863
1-[2-(2-chlorophenoxy)ethyl]-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 4573481
2-[2-(azocan-1-yl)ethoxy]aniline
CID 43174279
3-[2-(2-aminoethoxy)phenyl]imidazolidine-2,4-dione
CID 114007840
3-[2-amino-2-(2-ethoxyphenyl)ethyl]imidazolidine-2,4-dione
CID 16790120
4-[2-(2-aminophenoxy)ethyl]piperazine-1-carbaldehyde
CID 82087161
2-[2-(3,4-dimethoxypyrrolidin-1-yl)ethoxy]aniline
CID 103531079
1-[2-(2-aminophenoxy)ethyl]-3-methylimidazol-2-one
CID 80579090
3-[2-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]imidazolidine-2,4-dione
CID 114523973
1-[2-(2-aminophenoxy)ethyl]-4-tert-butylpyrrolidin-2-one
CID 104510945

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-aminophenoxy)ethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-(2-aminophenoxy)ethyl]imidazolidine-2,4-dione (CID 43365663) is 3-[2-(2-aminophenoxy)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(2-aminophenoxy)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(2-aminophenoxy)ethyl]imidazolidine-2,4-dione is Nc1ccccc1OCCN1C(=O)CNC1=O.
What is the InChIKey of 3-[2-(2-aminophenoxy)ethyl]imidazolidine-2,4-dione?
The InChIKey is IKINZBAGHCUUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c12-8-3-1-2-4-9(8)17-6-5-14-10(15)7-13-11(14)16/h1-4H,5-7,12H2,(H,13,16).
What are the key properties of 3-[2-(2-aminophenoxy)ethyl]imidazolidine-2,4-dione?
3-[2-(2-aminophenoxy)ethyl]imidazolidine-2,4-dione has a molecular weight of 235.24 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-aminophenoxy)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 43365663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).