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

C13H17N3O3 — CID 16790120

IUPAC3-[2-amino-2-(2-ethoxyphenyl)ethyl]imidazolidine-2,4-dione
SMILESCCOc1ccccc1C(N)CN1C(=O)CNC1=O
InChIInChI=1S/C13H17N3O3/c1-2-19-11-6-4-3-5-9(11)10(14)8-16-12(17)7-15-13(16)18/h3-6,10H,2,7-8,14H2,1H3,(H,15,18)
InChIKeyOAPPUDKMCQNASC-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.64
Rot. Bonds5

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

3-[2-amino-2-(2-ethoxyphenyl)ethyl]imidazolidine-2,4-dione (PubChem CID 16790120) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-[2-amino-2-(2-ethoxyphenyl)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-amino-2-(2-ethoxyphenyl)ethyl]imidazolidine-2,4-dione
PubChem CID16790120
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name3-[2-amino-2-(2-ethoxyphenyl)ethyl]imidazolidine-2,4-dione
SMILESCCOc1ccccc1C(N)CN1C(=O)CNC1=O
InChIInChI=1S/C13H17N3O3/c1-2-19-11-6-4-3-5-9(11)10(14)8-16-12(17)7-15-13(16)18/h3-6,10H,2,7-8,14H2,1H3,(H,15,18)
InChIKeyOAPPUDKMCQNASC-UHFFFAOYSA-N
XLogP0.64
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-amino-2-(2,5-dimethoxyphenyl)ethyl]imidazolidine-2,4-dione
CID 16794300
1-[2-amino-2-(2-methoxyphenyl)ethyl]pyrrolidine-2,5-dione
CID 16781666
3-[2-(2-ethoxyphenyl)-2-oxoethyl]imidazolidine-2,4-dione
CID 62023536
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
(1R)-1-(2-ethoxyphenyl)-2-fluoroethanamine
CID 124705479
3-[2-amino-2-(2-methoxyphenyl)ethyl]-1-methylimidazolidine-2,4-dione
CID 43212262
1-[2-amino-2-(2-ethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 16783798
1-[2-(2-ethoxyphenoxy)ethyl]piperazine-2,6-dione
CID 66061863
3-[2-(2-aminophenoxy)ethyl]imidazolidine-2,4-dione
CID 43365663
1-(2-ethoxyphenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine
CID 54882989
1-(2-ethoxyphenyl)-2-(1,4-oxazepan-4-yl)ethanamine
CID 62988321
(1R)-1-[2-(ethoxymethoxy)phenyl]propan-1-amine
CID 65369462

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-2-(2-ethoxyphenyl)ethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-amino-2-(2-ethoxyphenyl)ethyl]imidazolidine-2,4-dione (CID 16790120) is 3-[2-amino-2-(2-ethoxyphenyl)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-amino-2-(2-ethoxyphenyl)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-amino-2-(2-ethoxyphenyl)ethyl]imidazolidine-2,4-dione is CCOc1ccccc1C(N)CN1C(=O)CNC1=O.
What is the InChIKey of 3-[2-amino-2-(2-ethoxyphenyl)ethyl]imidazolidine-2,4-dione?
The InChIKey is OAPPUDKMCQNASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-2-19-11-6-4-3-5-9(11)10(14)8-16-12(17)7-15-13(16)18/h3-6,10H,2,7-8,14H2,1H3,(H,15,18).
What are the key properties of 3-[2-amino-2-(2-ethoxyphenyl)ethyl]imidazolidine-2,4-dione?
3-[2-amino-2-(2-ethoxyphenyl)ethyl]imidazolidine-2,4-dione has a molecular weight of 263.30 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-2-(2-ethoxyphenyl)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 16790120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).