tert-butyl 2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate

C17H21FN2O4 — CID 4680291

IUPACtert-butyl 2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate
SMILESCCC1(c2ccc(F)cc2)NC(=O)N(CC(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C17H21FN2O4/c1-5-17(11-6-8-12(18)9-7-11)14(22)20(15(23)19-17)10-13(21)24-16(2,3)4/h6-9H,5,10H2,1-4H3,(H,19,23)
InChIKeyKUZWTHHODWGVEL-UHFFFAOYSA-N
MW336.36 g/mol
LogP2.32
Rot. Bonds4

About tert-butyl 2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate

tert-butyl 2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate (PubChem CID 4680291) has the molecular formula C17H21FN2O4 and a molecular weight of 336.36 g/mol. Its IUPAC name is tert-butyl 2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate
PubChem CID4680291
Molecular FormulaC17H21FN2O4
Molecular Weight336.36 g/mol
Exact Mass336.15
IUPAC Nametert-butyl 2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate
SMILESCCC1(c2ccc(F)cc2)NC(=O)N(CC(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C17H21FN2O4/c1-5-17(11-6-8-12(18)9-7-11)14(22)20(15(23)19-17)10-13(21)24-16(2,3)4/h6-9H,5,10H2,1-4H3,(H,19,23)
InChIKeyKUZWTHHODWGVEL-UHFFFAOYSA-N
XLogP2.32
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 52.32
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

N,N-diethyl-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4804739
(5R)-3-[2-(azocan-1-yl)-2-oxoethyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 8571131
(5S)-5-ethyl-5-(4-fluorophenyl)-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione
CID 7264837
N-ethyl-2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 7875401
methyl 2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 7621528
N,N-bis[(2S)-butan-2-yl]-2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8571100
(5R)-5-ethyl-3-[2-(4-fluorophenyl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 7179651
N-ethyl-2-[[2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]acetamide
CID 8571207
N-(ethylcarbamoyl)-2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4814167
N,N-dibutyl-2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8571095
2-[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methylpropyl)acetamide
CID 7264595
2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2117097

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate?
The IUPAC name of tert-butyl 2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate (CID 4680291) is tert-butyl 2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate.
What is the SMILES notation for tert-butyl 2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate?
The canonical SMILES for tert-butyl 2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate is CCC1(c2ccc(F)cc2)NC(=O)N(CC(=O)OC(C)(C)C)C1=O.
What is the InChIKey of tert-butyl 2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate?
The InChIKey is KUZWTHHODWGVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O4/c1-5-17(11-6-8-12(18)9-7-11)14(22)20(15(23)19-17)10-13(21)24-16(2,3)4/h6-9H,5,10H2,1-4H3,(H,19,23).
What are the key properties of tert-butyl 2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate?
tert-butyl 2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate has a molecular weight of 336.36 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate is sourced from PubChem (CID 4680291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).