tert-butyl 3-(2-ethoxy-1-fluoro-2-oxoethyl)-2,4-dioxo-5-phenylimidazolidine-1-carboxylate

C18H21FN2O6 — CID 11440384

IUPACtert-butyl 3-(2-ethoxy-1-fluoro-2-oxoethyl)-2,4-dioxo-5-phenylimidazolidine-1-carboxylate
SMILESCCOC(=O)C(F)N1C(=O)C(c2ccccc2)N(C(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C18H21FN2O6/c1-5-26-15(23)13(19)21-14(22)12(11-9-7-6-8-10-11)20(16(21)24)17(25)27-18(2,3)4/h6-10,12-13H,5H2,1-4H3
InChIKeyGURVXGQWYGPCCJ-UHFFFAOYSA-N
MW380.37 g/mol
LogP2.79
Rot. Bonds4

About tert-butyl 3-(2-ethoxy-1-fluoro-2-oxoethyl)-2,4-dioxo-5-phenylimidazolidine-1-carboxylate

tert-butyl 3-(2-ethoxy-1-fluoro-2-oxoethyl)-2,4-dioxo-5-phenylimidazolidine-1-carboxylate (PubChem CID 11440384) has the molecular formula C18H21FN2O6 and a molecular weight of 380.37 g/mol. Its IUPAC name is tert-butyl 3-(2-ethoxy-1-fluoro-2-oxoethyl)-2,4-dioxo-5-phenylimidazolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2-ethoxy-1-fluoro-2-oxoethyl)-2,4-dioxo-5-phenylimidazolidine-1-carboxylate
PubChem CID11440384
Molecular FormulaC18H21FN2O6
Molecular Weight380.37 g/mol
Exact Mass380.14
IUPAC Nametert-butyl 3-(2-ethoxy-1-fluoro-2-oxoethyl)-2,4-dioxo-5-phenylimidazolidine-1-carboxylate
SMILESCCOC(=O)C(F)N1C(=O)C(c2ccccc2)N(C(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C18H21FN2O6/c1-5-26-15(23)13(19)21-14(22)12(11-9-7-6-8-10-11)20(16(21)24)17(25)27-18(2,3)4/h6-10,12-13H,5H2,1-4H3
InChIKeyGURVXGQWYGPCCJ-UHFFFAOYSA-N
XLogP2.79
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl 3-(2-ethoxy-1-fluoro-2-oxoethyl)-2,4-dioxo-5-phenylimidazolidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 3-[1-fluoro-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,4-dioxo-5-phenylimidazolidine-1-carboxylate
CID 101045343
tert-butyl 5-benzyl-3-(2-ethoxy-1-fluoro-2-oxoethyl)-2,4-dioxoimidazolidine-1-carboxylate
CID 102237352
ethyl 2-(2,5-dioxo-4-phenylimidazolidin-1-yl)-2-fluoroacetate
CID 101045340
tert-butyl (3S)-3-acetyl-2-oxo-4-phenylazetidine-1-carboxylate
CID 67735629
2-O-tert-butyl 4-O-ethyl 5-methyl-3-phenyl-3H-1,2-oxazole-2,4-dicarboxylate
CID 135032423
tert-butyl 3-methyl-2-oxo-4-phenylazetidine-1-carboxylate
CID 21299736
tert-butyl 3-oxo-2-phenyl-2H-indole-1-carboxylate
CID 141389257
1-O-tert-butyl 2-O-ethyl (2S,4S)-4-benzyl-5-oxopyrrolidine-1,2-dicarboxylate
CID 10948010
tert-butyl (4S)-2-oxo-4-phenylazetidine-1-carboxylate
CID 42598467
tert-butyl (3S,4S)-3-benzoyloxy-2-oxo-4-phenylazetidine-1-carboxylate
CID 146032902
tert-butyl (3S,4S)-3-butyl-2-oxo-4-phenyl-6-(trifluoromethyl)-3,4-dihydropyridine-1-carboxylate
CID 122399044
tert-butyl 3-oxo-2-phenylpyrrolidine-1-carboxylate
CID 11414318

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-ethoxy-1-fluoro-2-oxoethyl)-2,4-dioxo-5-phenylimidazolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(2-ethoxy-1-fluoro-2-oxoethyl)-2,4-dioxo-5-phenylimidazolidine-1-carboxylate (CID 11440384) is tert-butyl 3-(2-ethoxy-1-fluoro-2-oxoethyl)-2,4-dioxo-5-phenylimidazolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(2-ethoxy-1-fluoro-2-oxoethyl)-2,4-dioxo-5-phenylimidazolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(2-ethoxy-1-fluoro-2-oxoethyl)-2,4-dioxo-5-phenylimidazolidine-1-carboxylate is CCOC(=O)C(F)N1C(=O)C(c2ccccc2)N(C(=O)OC(C)(C)C)C1=O.
What is the InChIKey of tert-butyl 3-(2-ethoxy-1-fluoro-2-oxoethyl)-2,4-dioxo-5-phenylimidazolidine-1-carboxylate?
The InChIKey is GURVXGQWYGPCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O6/c1-5-26-15(23)13(19)21-14(22)12(11-9-7-6-8-10-11)20(16(21)24)17(25)27-18(2,3)4/h6-10,12-13H,5H2,1-4H3.
What are the key properties of tert-butyl 3-(2-ethoxy-1-fluoro-2-oxoethyl)-2,4-dioxo-5-phenylimidazolidine-1-carboxylate?
tert-butyl 3-(2-ethoxy-1-fluoro-2-oxoethyl)-2,4-dioxo-5-phenylimidazolidine-1-carboxylate has a molecular weight of 380.37 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-ethoxy-1-fluoro-2-oxoethyl)-2,4-dioxo-5-phenylimidazolidine-1-carboxylate is sourced from PubChem (CID 11440384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).