3-(4-fluorophenoxy)propyl 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate

C17H21FN2O5 — CID 46815141

IUPAC3-(4-fluorophenoxy)propyl 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate
SMILESCC1(C)NC(=O)N(CCC(=O)OCCCOc2ccc(F)cc2)C1=O
InChIInChI=1S/C17H21FN2O5/c1-17(2)15(22)20(16(23)19-17)9-8-14(21)25-11-3-10-24-13-6-4-12(18)5-7-13/h4-7H,3,8-11H2,1-2H3,(H,19,23)
InChIKeyPNFXEYGUHZFXGK-UHFFFAOYSA-N
MW352.36 g/mol
LogP1.86
Rot. Bonds8

About 3-(4-fluorophenoxy)propyl 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate

3-(4-fluorophenoxy)propyl 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate (PubChem CID 46815141) has the molecular formula C17H21FN2O5 and a molecular weight of 352.36 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)propyl 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate.

Molecular Properties

Compound Name3-(4-fluorophenoxy)propyl 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate
PubChem CID46815141
Molecular FormulaC17H21FN2O5
Molecular Weight352.36 g/mol
Exact Mass352.14
IUPAC Name3-(4-fluorophenoxy)propyl 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate
SMILESCC1(C)NC(=O)N(CCC(=O)OCCCOc2ccc(F)cc2)C1=O
InChIInChI=1S/C17H21FN2O5/c1-17(2)15(22)20(16(23)19-17)9-8-14(21)25-11-3-10-24-13-6-4-12(18)5-7-13/h4-7H,3,8-11H2,1-2H3,(H,19,23)
InChIKeyPNFXEYGUHZFXGK-UHFFFAOYSA-N
XLogP1.86
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromophenoxy)ethyl 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoate
CID 8703261
3-(4-fluorophenoxy)propyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 7821334
[2-(3-fluorophenyl)-2-oxoethyl] 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate
CID 8807150
5,5-dimethyl-3-[2-(4-propoxyphenoxy)ethyl]imidazolidine-2,4-dione
CID 47003689
[2-(4-ethoxyphenyl)-2-oxoethyl] 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoate
CID 8703358
3-[(2R)-3-(4-fluorophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 769267
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate
CID 46608614
[2-(3-fluorophenyl)-2-oxoethyl] 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoate
CID 8677358
N-[2-(4-chlorophenoxy)ethyl]-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylbutanamide
CID 47008586
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate
CID 8631154
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(2-phenoxyethyl)butanamide
CID 18111139
[2-(2-methoxyphenyl)-2-oxoethyl] 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate
CID 8657099

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenoxy)propyl 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate?
The IUPAC name of 3-(4-fluorophenoxy)propyl 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate (CID 46815141) is 3-(4-fluorophenoxy)propyl 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate.
What is the SMILES notation for 3-(4-fluorophenoxy)propyl 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate?
The canonical SMILES for 3-(4-fluorophenoxy)propyl 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate is CC1(C)NC(=O)N(CCC(=O)OCCCOc2ccc(F)cc2)C1=O.
What is the InChIKey of 3-(4-fluorophenoxy)propyl 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate?
The InChIKey is PNFXEYGUHZFXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O5/c1-17(2)15(22)20(16(23)19-17)9-8-14(21)25-11-3-10-24-13-6-4-12(18)5-7-13/h4-7H,3,8-11H2,1-2H3,(H,19,23).
What are the key properties of 3-(4-fluorophenoxy)propyl 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate?
3-(4-fluorophenoxy)propyl 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate has a molecular weight of 352.36 g/mol, XLogP of 1.86, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenoxy)propyl 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate is sourced from PubChem (CID 46815141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).