[2-(tert-butylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate

C16H20FNO4 — CID 2433057

IUPAC[2-(tert-butylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
SMILESCC(C)(C)NC(=O)COC(=O)CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C16H20FNO4/c1-16(2,3)18-14(20)10-22-15(21)9-8-13(19)11-4-6-12(17)7-5-11/h4-7H,8-10H2,1-3H3,(H,18,20)
InChIKeyPBYRIROJQFDIEG-UHFFFAOYSA-N
MW309.34 g/mol
LogP2.25
Rot. Bonds6

About [2-(tert-butylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate

[2-(tert-butylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate (PubChem CID 2433057) has the molecular formula C16H20FNO4 and a molecular weight of 309.34 g/mol. Its IUPAC name is [2-(tert-butylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate.

Molecular Properties

Compound Name[2-(tert-butylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
PubChem CID2433057
Molecular FormulaC16H20FNO4
Molecular Weight309.34 g/mol
Exact Mass309.14
IUPAC Name[2-(tert-butylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
SMILESCC(C)(C)NC(=O)COC(=O)CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C16H20FNO4/c1-16(2,3)18-14(20)10-22-15(21)9-8-13(19)11-4-6-12(17)7-5-11/h4-7H,8-10H2,1-3H3,(H,18,20)
InChIKeyPBYRIROJQFDIEG-UHFFFAOYSA-N
XLogP2.25
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(tert-butylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate with MolForge

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Related Compounds

[2-(Cyclohexylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 2417977
[2-(Tert-butylamino)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 2416098
[2-(Butylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 2432456
[2-(Tert-butylamino)-2-oxoethyl] 2-benzoylbenzoate
CID 2363875
[2-(4-Methylpiperidin-1-yl)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 2380919
[2-Oxo-2-(2-phenylethylamino)ethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 2418193
[2-(Ethylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 2432458
[2-Oxo-2-(1-phenylethylamino)ethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 3385552
[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 3547079
[2-[Cyclohexyl(methyl)amino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 3608531
[2-[(2,3-Dimethylcyclohexyl)amino]-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 5113276
Diethyl acetamido(2-oxo-2-phenylethyl)propanedioate
CID 233989

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate?
The IUPAC name of [2-(tert-butylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate (CID 2433057) is [2-(tert-butylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate.
What is the SMILES notation for [2-(tert-butylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate?
The canonical SMILES for [2-(tert-butylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate is CC(C)(C)NC(=O)COC(=O)CCC(=O)c1ccc(F)cc1.
What is the InChIKey of [2-(tert-butylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate?
The InChIKey is PBYRIROJQFDIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO4/c1-16(2,3)18-14(20)10-22-15(21)9-8-13(19)11-4-6-12(17)7-5-11/h4-7H,8-10H2,1-3H3,(H,18,20).
What are the key properties of [2-(tert-butylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate?
[2-(tert-butylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate has a molecular weight of 309.34 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylamino)-2-oxoethyl] 4-(4-fluorophenyl)-4-oxobutanoate is sourced from PubChem (CID 2433057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).