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

C13H17N3O3 — CID 43212262

IUPAC3-[2-amino-2-(2-methoxyphenyl)ethyl]-1-methylimidazolidine-2,4-dione
SMILESCOc1ccccc1C(N)CN1C(=O)CN(C)C1=O
InChIInChI=1S/C13H17N3O3/c1-15-8-12(17)16(13(15)18)7-10(14)9-5-3-4-6-11(9)19-2/h3-6,10H,7-8,14H2,1-2H3
InChIKeyYFCGFCZUUMTKGO-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.59
Rot. Bonds4

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

3-[2-amino-2-(2-methoxyphenyl)ethyl]-1-methylimidazolidine-2,4-dione (PubChem CID 43212262) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-[2-amino-2-(2-methoxyphenyl)ethyl]-1-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-amino-2-(2-methoxyphenyl)ethyl]-1-methylimidazolidine-2,4-dione
PubChem CID43212262
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name3-[2-amino-2-(2-methoxyphenyl)ethyl]-1-methylimidazolidine-2,4-dione
SMILESCOc1ccccc1C(N)CN1C(=O)CN(C)C1=O
InChIInChI=1S/C13H17N3O3/c1-15-8-12(17)16(13(15)18)7-10(14)9-5-3-4-6-11(9)19-2/h3-6,10H,7-8,14H2,1-2H3
InChIKeyYFCGFCZUUMTKGO-UHFFFAOYSA-N
XLogP0.59
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.59
H-Bond Donors ≤ 51
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-methoxy-5-methylphenyl)ethyl]-1-methylimidazolidine-2,4-dione
CID 43212246
1-[2-amino-2-(2-methoxyphenyl)ethyl]pyrrolidine-2,5-dione
CID 16781666
3-[2-amino-2-(4-ethoxyphenyl)ethyl]-1-methylimidazolidine-2,4-dione
CID 43212257
3-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-1-methylimidazolidine-2,4-dione
CID 18086840
3-[2-amino-2-(4-tert-butylphenyl)ethyl]-1-methylimidazolidine-2,4-dione
CID 43212260
3-[2-amino-2-(4-propan-2-yloxyphenyl)ethyl]-1-methylimidazolidine-2,4-dione
CID 43212276
3-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-1-methylimidazolidine-2,4-dione
CID 95156461
3-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-methylimidazolidine-2,4-dione
CID 42955349
3-[2-amino-2-(2-ethoxyphenyl)ethyl]imidazolidine-2,4-dione
CID 16790120
3-[2-(2-aminophenoxy)ethyl]-1-methylimidazolidine-2,4-dione
CID 43365808
2-[2-amino-2-(2-methoxyphenyl)ethyl]pyridazin-3-one
CID 62850491
(1S)-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 51699599

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-2-(2-methoxyphenyl)ethyl]-1-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-amino-2-(2-methoxyphenyl)ethyl]-1-methylimidazolidine-2,4-dione (CID 43212262) is 3-[2-amino-2-(2-methoxyphenyl)ethyl]-1-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-amino-2-(2-methoxyphenyl)ethyl]-1-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-amino-2-(2-methoxyphenyl)ethyl]-1-methylimidazolidine-2,4-dione is COc1ccccc1C(N)CN1C(=O)CN(C)C1=O.
What is the InChIKey of 3-[2-amino-2-(2-methoxyphenyl)ethyl]-1-methylimidazolidine-2,4-dione?
The InChIKey is YFCGFCZUUMTKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-15-8-12(17)16(13(15)18)7-10(14)9-5-3-4-6-11(9)19-2/h3-6,10H,7-8,14H2,1-2H3.
What are the key properties of 3-[2-amino-2-(2-methoxyphenyl)ethyl]-1-methylimidazolidine-2,4-dione?
3-[2-amino-2-(2-methoxyphenyl)ethyl]-1-methylimidazolidine-2,4-dione has a molecular weight of 263.30 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-2-(2-methoxyphenyl)ethyl]-1-methylimidazolidine-2,4-dione is sourced from PubChem (CID 43212262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).