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

C19H25FN2O4 — CID 9202015

IUPAC[2-[tert-butyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] cyclobutanecarboxylate
SMILESCC(C)(C)N(CC(=O)Nc1ccc(F)cc1)C(=O)COC(=O)C1CCC1
InChIInChI=1S/C19H25FN2O4/c1-19(2,3)22(17(24)12-26-18(25)13-5-4-6-13)11-16(23)21-15-9-7-14(20)8-10-15/h7-10,13H,4-6,11-12H2,1-3H3,(H,21,23)
InChIKeyPDHOAPZIBMNTKE-UHFFFAOYSA-N
MW364.42 g/mol
LogP2.73
Rot. Bonds6

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

[2-[tert-butyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] cyclobutanecarboxylate (PubChem CID 9202015) has the molecular formula C19H25FN2O4 and a molecular weight of 364.42 g/mol. Its IUPAC name is [2-[tert-butyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] cyclobutanecarboxylate.

Molecular Properties

Compound Name[2-[tert-butyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] cyclobutanecarboxylate
PubChem CID9202015
Molecular FormulaC19H25FN2O4
Molecular Weight364.42 g/mol
Exact Mass364.18
IUPAC Name[2-[tert-butyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] cyclobutanecarboxylate
SMILESCC(C)(C)N(CC(=O)Nc1ccc(F)cc1)C(=O)COC(=O)C1CCC1
InChIInChI=1S/C19H25FN2O4/c1-19(2,3)22(17(24)12-26-18(25)13-5-4-6-13)11-16(23)21-15-9-7-14(20)8-10-15/h7-10,13H,4-6,11-12H2,1-3H3,(H,21,23)
InChIKeyPDHOAPZIBMNTKE-UHFFFAOYSA-N
XLogP2.73
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 52.73
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] propanoate
CID 9014971
[2-[tert-butyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate
CID 9344680
2-[tert-butyl-[2-(4-propanoylphenoxy)acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 9286965
[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] cyclopropanecarboxylate
CID 7863239
[2-(4-ethoxyanilino)-2-oxoethyl] cyclobutanecarboxylate
CID 7717429
2-[cyclopropyl(methyl)amino]-N-(4-fluorophenyl)acetamide
CID 47166447
[2-(4-iodoanilino)-2-oxoethyl] cyclobutanecarboxylate
CID 7717400
methyl 4-[[2-(cyclobutanecarbonyloxy)acetyl]amino]benzoate
CID 8019672
2-[tert-butyl-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfinylacetyl]amino]-N-cyclohexylacetamide
CID 3182261
[2-[4-(dimethylamino)anilino]-2-oxoethyl] cyclohexanecarboxylate
CID 3621562
[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl] cyclobutanecarboxylate
CID 8019701
2-[cyclopentyl(methylsulfonyl)amino]-N-(4-fluorophenyl)acetamide
CID 113148937

Frequently Asked Questions

What is the IUPAC name of [2-[tert-butyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] cyclobutanecarboxylate?
The IUPAC name of [2-[tert-butyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] cyclobutanecarboxylate (CID 9202015) is [2-[tert-butyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] cyclobutanecarboxylate.
What is the SMILES notation for [2-[tert-butyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] cyclobutanecarboxylate?
The canonical SMILES for [2-[tert-butyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] cyclobutanecarboxylate is CC(C)(C)N(CC(=O)Nc1ccc(F)cc1)C(=O)COC(=O)C1CCC1.
What is the InChIKey of [2-[tert-butyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] cyclobutanecarboxylate?
The InChIKey is PDHOAPZIBMNTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O4/c1-19(2,3)22(17(24)12-26-18(25)13-5-4-6-13)11-16(23)21-15-9-7-14(20)8-10-15/h7-10,13H,4-6,11-12H2,1-3H3,(H,21,23).
What are the key properties of [2-[tert-butyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] cyclobutanecarboxylate?
[2-[tert-butyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] cyclobutanecarboxylate has a molecular weight of 364.42 g/mol, XLogP of 2.73, 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] cyclobutanecarboxylate is sourced from PubChem (CID 9202015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).