[2-[tert-butyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] propanoate

C17H23FN2O4 — CID 9014971

IUPAC[2-[tert-butyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] propanoate
SMILESCCC(=O)OCC(=O)N(CC(=O)Nc1ccc(F)cc1)C(C)(C)C
InChIInChI=1S/C17H23FN2O4/c1-5-16(23)24-11-15(22)20(17(2,3)4)10-14(21)19-13-8-6-12(18)7-9-13/h6-9H,5,10-11H2,1-4H3,(H,19,21)
InChIKeyWQOGREZXGCXMJA-UHFFFAOYSA-N
MW338.38 g/mol
LogP2.34
Rot. Bonds6

About [2-[tert-butyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] propanoate

[2-[tert-butyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] propanoate (PubChem CID 9014971) has the molecular formula C17H23FN2O4 and a molecular weight of 338.38 g/mol. Its IUPAC name is [2-[tert-butyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] propanoate.

Molecular Properties

Compound Name[2-[tert-butyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] propanoate
PubChem CID9014971
Molecular FormulaC17H23FN2O4
Molecular Weight338.38 g/mol
Exact Mass338.16
IUPAC Name[2-[tert-butyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] propanoate
SMILESCCC(=O)OCC(=O)N(CC(=O)Nc1ccc(F)cc1)C(C)(C)C
InChIInChI=1S/C17H23FN2O4/c1-5-16(23)24-11-15(22)20(17(2,3)4)10-14(21)19-13-8-6-12(18)7-9-13/h6-9H,5,10-11H2,1-4H3,(H,19,21)
InChIKeyWQOGREZXGCXMJA-UHFFFAOYSA-N
XLogP2.34
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[tert-butyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] cyclobutanecarboxylate
CID 9202015
2-[tert-butyl-[2-(4-propanoylphenoxy)acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 9286965
[2-[tert-butyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 9344680
[2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7273946
ethyl 4-[[2-(4-fluoroanilino)-2-oxoethyl]-methylsulfamoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 20938356
2-[tert-butyl-(2-pyridin-2-ylsulfanylacetyl)amino]-N-(4-fluorophenyl)acetamide
CID 9347230
[2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 7489236
2-[cyclopropyl(methyl)amino]-N-(4-fluorophenyl)acetamide
CID 47166447
[2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 11932895
2-[ethyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-methylpropanoic acid
CID 62822057
2-[(1-amino-2-methylpropan-2-yl)-propylamino]-N-(4-fluorophenyl)acetamide
CID 62008565
ethyl 4-[[2-[2-(4-fluorophenyl)acetyl]oxyacetyl]amino]benzoate
CID 7759306

Frequently Asked Questions

What is the IUPAC name of [2-[tert-butyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] propanoate?
The IUPAC name of [2-[tert-butyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] propanoate (CID 9014971) is [2-[tert-butyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] propanoate.
What is the SMILES notation for [2-[tert-butyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] propanoate?
The canonical SMILES for [2-[tert-butyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] propanoate is CCC(=O)OCC(=O)N(CC(=O)Nc1ccc(F)cc1)C(C)(C)C.
What is the InChIKey of [2-[tert-butyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] propanoate?
The InChIKey is WQOGREZXGCXMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O4/c1-5-16(23)24-11-15(22)20(17(2,3)4)10-14(21)19-13-8-6-12(18)7-9-13/h6-9H,5,10-11H2,1-4H3,(H,19,21).
What are the key properties of [2-[tert-butyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] propanoate?
[2-[tert-butyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] propanoate has a molecular weight of 338.38 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[tert-butyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] propanoate is sourced from PubChem (CID 9014971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).