[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

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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).