3-(1-amino-2-phenylpropan-2-yl)imidazolidine-2,4-dione

C12H15N3O2 — CID 107842211

IUPAC3-(1-amino-2-phenylpropan-2-yl)imidazolidine-2,4-dione
SMILESCC(CN)(c1ccccc1)N1C(=O)CNC1=O
InChIInChI=1S/C12H15N3O2/c1-12(8-13,9-5-3-2-4-6-9)15-10(16)7-14-11(15)17/h2-6H,7-8,13H2,1H3,(H,14,17)
InChIKeyLGLIOCGLOCYVDX-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.41
Rot. Bonds3

About 3-(1-amino-2-phenylpropan-2-yl)imidazolidine-2,4-dione

3-(1-amino-2-phenylpropan-2-yl)imidazolidine-2,4-dione (PubChem CID 107842211) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-(1-amino-2-phenylpropan-2-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(1-amino-2-phenylpropan-2-yl)imidazolidine-2,4-dione
PubChem CID107842211
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name3-(1-amino-2-phenylpropan-2-yl)imidazolidine-2,4-dione
SMILESCC(CN)(c1ccccc1)N1C(=O)CNC1=O
InChIInChI=1S/C12H15N3O2/c1-12(8-13,9-5-3-2-4-6-9)15-10(16)7-14-11(15)17/h2-6H,7-8,13H2,1H3,(H,14,17)
InChIKeyLGLIOCGLOCYVDX-UHFFFAOYSA-N
XLogP0.41
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1-amino-2-phenylpropan-2-yl)imidazolidin-2-one
CID 105060793
benzene;3-tert-butylimidazolidine-2,4-dione
CID 70509532
1-(1-amino-2-phenylpropan-2-yl)-3,3-diethylpyrrolidine-2,5-dione
CID 105060790
3-(2,5-dioxoimidazolidin-1-yl)-3-methylbutanamide
CID 106098925
1-amino-2-phenylpropan-2-ol;hydrochloride
CID 17039439
1-(1-hydroxy-2-phenylpropan-2-yl)imidazolidin-2-one
CID 105059255
4-(2,5-dioxoimidazolidin-1-yl)-4-methylpentanoic acid
CID 107841978
2-(2,5-dioxoimidazolidin-1-yl)-3-methoxy-2-methylpropanoic acid
CID 82239395
2-(1-hydroxy-2-phenylpropan-2-yl)isoindole-1,3-dione
CID 105059304
3-methylimidazolidine-2,4-dione;toluene
CID 174814099
1-(2,2-difluoro-2-phenylethyl)-6-methylpiperazine-2,5-dione
CID 116790844
2-(2,5-dihydropyrrol-1-yl)-2-phenylpropan-1-ol
CID 105059300

Frequently Asked Questions

What is the IUPAC name of 3-(1-amino-2-phenylpropan-2-yl)imidazolidine-2,4-dione?
The IUPAC name of 3-(1-amino-2-phenylpropan-2-yl)imidazolidine-2,4-dione (CID 107842211) is 3-(1-amino-2-phenylpropan-2-yl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-(1-amino-2-phenylpropan-2-yl)imidazolidine-2,4-dione?
The canonical SMILES for 3-(1-amino-2-phenylpropan-2-yl)imidazolidine-2,4-dione is CC(CN)(c1ccccc1)N1C(=O)CNC1=O.
What is the InChIKey of 3-(1-amino-2-phenylpropan-2-yl)imidazolidine-2,4-dione?
The InChIKey is LGLIOCGLOCYVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-12(8-13,9-5-3-2-4-6-9)15-10(16)7-14-11(15)17/h2-6H,7-8,13H2,1H3,(H,14,17).
What are the key properties of 3-(1-amino-2-phenylpropan-2-yl)imidazolidine-2,4-dione?
3-(1-amino-2-phenylpropan-2-yl)imidazolidine-2,4-dione has a molecular weight of 233.27 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-amino-2-phenylpropan-2-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 107842211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).