3-[1-(4-phenylbutanoyl)azetidin-3-yl]imidazolidine-2,4-dione

C16H19N3O3 — CID 121159452

IUPAC3-[1-(4-phenylbutanoyl)azetidin-3-yl]imidazolidine-2,4-dione
SMILESO=C(CCCc1ccccc1)N1CC(N2C(=O)CNC2=O)C1
InChIInChI=1S/C16H19N3O3/c20-14(8-4-7-12-5-2-1-3-6-12)18-10-13(11-18)19-15(21)9-17-16(19)22/h1-3,5-6,13H,4,7-11H2,(H,17,22)
InChIKeyLCUZNSFZYXXWMO-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.77
Rot. Bonds5

About 3-[1-(4-phenylbutanoyl)azetidin-3-yl]imidazolidine-2,4-dione

3-[1-(4-phenylbutanoyl)azetidin-3-yl]imidazolidine-2,4-dione (PubChem CID 121159452) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-[1-(4-phenylbutanoyl)azetidin-3-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-(4-phenylbutanoyl)azetidin-3-yl]imidazolidine-2,4-dione
PubChem CID121159452
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name3-[1-(4-phenylbutanoyl)azetidin-3-yl]imidazolidine-2,4-dione
SMILESO=C(CCCc1ccccc1)N1CC(N2C(=O)CNC2=O)C1
InChIInChI=1S/C16H19N3O3/c20-14(8-4-7-12-5-2-1-3-6-12)18-10-13(11-18)19-15(21)9-17-16(19)22/h1-3,5-6,13H,4,7-11H2,(H,17,22)
InChIKeyLCUZNSFZYXXWMO-UHFFFAOYSA-N
XLogP0.77
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(2-benzylsulfanylacetyl)azetidin-3-yl]imidazolidine-2,4-dione
CID 121017227
3-(2,5-dioxoimidazolidin-1-yl)-N-(3-phenylpropyl)pyrrolidine-1-carboxamide
CID 121160042
3-[1-[3-(4-phenylmethoxyphenyl)propanoyl]pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159818
1-(3-aminoazetidin-1-yl)-4-phenylbutan-1-one
CID 63753831
1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-4-phenylbutan-1-one
CID 66211030
3-[1-[2-(2-methoxyphenyl)acetyl]azetidin-3-yl]imidazolidine-2,4-dione
CID 121159517
3-[1-[3-(3-chlorophenyl)propanoyl]pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159824
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-phenylbutan-1-one
CID 807657
benzyl N-[2-[3-(2,5-dioxoimidazolidin-1-yl)pyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 121159977
1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]-4-phenylbutan-1-one
CID 121153492
N-benzhydryl-3-(2,5-dioxoimidazolidin-1-yl)azetidine-1-carboxamide
CID 121159552
1-[6-(3-phenylpropyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]propan-1-one
CID 11666232

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-phenylbutanoyl)azetidin-3-yl]imidazolidine-2,4-dione?
The IUPAC name of 3-[1-(4-phenylbutanoyl)azetidin-3-yl]imidazolidine-2,4-dione (CID 121159452) is 3-[1-(4-phenylbutanoyl)azetidin-3-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[1-(4-phenylbutanoyl)azetidin-3-yl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[1-(4-phenylbutanoyl)azetidin-3-yl]imidazolidine-2,4-dione is O=C(CCCc1ccccc1)N1CC(N2C(=O)CNC2=O)C1.
What is the InChIKey of 3-[1-(4-phenylbutanoyl)azetidin-3-yl]imidazolidine-2,4-dione?
The InChIKey is LCUZNSFZYXXWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c20-14(8-4-7-12-5-2-1-3-6-12)18-10-13(11-18)19-15(21)9-17-16(19)22/h1-3,5-6,13H,4,7-11H2,(H,17,22).
What are the key properties of 3-[1-(4-phenylbutanoyl)azetidin-3-yl]imidazolidine-2,4-dione?
3-[1-(4-phenylbutanoyl)azetidin-3-yl]imidazolidine-2,4-dione has a molecular weight of 301.35 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-phenylbutanoyl)azetidin-3-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 121159452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).