[2-(tert-butylcarbamoylamino)-2-oxoethyl] 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate

C19H19F3N2O5 — CID 7755156

IUPAC[2-(tert-butylcarbamoylamino)-2-oxoethyl] 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate
SMILESCC(C)(C)NC(=O)NC(=O)COC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C19H19F3N2O5/c1-18(2,3)24-17(27)23-15(25)10-28-16(26)14-8-7-13(29-14)11-5-4-6-12(9-11)19(20,21)22/h4-9H,10H2,1-3H3,(H2,23,24,25,27)
InChIKeyWVLFOLIMXJXUFW-UHFFFAOYSA-N
MW412.36 g/mol
LogP3.75
Rot. Bonds4

About [2-(tert-butylcarbamoylamino)-2-oxoethyl] 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate

[2-(tert-butylcarbamoylamino)-2-oxoethyl] 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate (PubChem CID 7755156) has the molecular formula C19H19F3N2O5 and a molecular weight of 412.36 g/mol. Its IUPAC name is [2-(tert-butylcarbamoylamino)-2-oxoethyl] 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate.

Molecular Properties

Compound Name[2-(tert-butylcarbamoylamino)-2-oxoethyl] 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate
PubChem CID7755156
Molecular FormulaC19H19F3N2O5
Molecular Weight412.36 g/mol
Exact Mass412.12
IUPAC Name[2-(tert-butylcarbamoylamino)-2-oxoethyl] 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate
SMILESCC(C)(C)NC(=O)NC(=O)COC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C19H19F3N2O5/c1-18(2,3)24-17(27)23-15(25)10-28-16(26)14-8-7-13(29-14)11-5-4-6-12(9-11)19(20,21)22/h4-9H,10H2,1-3H3,(H2,23,24,25,27)
InChIKeyWVLFOLIMXJXUFW-UHFFFAOYSA-N
XLogP3.75
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.36
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(cyclopentylamino)-2-oxoethyl] 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate
CID 2661393
[2-[2-chloro-6-(trifluoromethyl)anilino]-2-oxoethyl] 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate
CID 42975524
[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate
CID 26918170
[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate
CID 8942658
N'-(3,3-dimethylbutanoyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carbohydrazide
CID 86888462
[2-(tert-butylamino)-2-oxoethyl] 3-(trifluoromethyl)benzoate
CID 2504289
[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate
CID 7755225
N-(3-methoxypropyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 9120331
[2-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl] 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate
CID 2663475
N'-[2-(2-fluorophenoxy)acetyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carbohydrazide
CID 26847933
N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 26713686
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(trifluoromethyl)benzoate
CID 2504258

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate?
The IUPAC name of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate (CID 7755156) is [2-(tert-butylcarbamoylamino)-2-oxoethyl] 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate.
What is the SMILES notation for [2-(tert-butylcarbamoylamino)-2-oxoethyl] 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate?
The canonical SMILES for [2-(tert-butylcarbamoylamino)-2-oxoethyl] 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate is CC(C)(C)NC(=O)NC(=O)COC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1.
What is the InChIKey of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate?
The InChIKey is WVLFOLIMXJXUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O5/c1-18(2,3)24-17(27)23-15(25)10-28-16(26)14-8-7-13(29-14)11-5-4-6-12(9-11)19(20,21)22/h4-9H,10H2,1-3H3,(H2,23,24,25,27).
What are the key properties of [2-(tert-butylcarbamoylamino)-2-oxoethyl] 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate?
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate has a molecular weight of 412.36 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylcarbamoylamino)-2-oxoethyl] 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate is sourced from PubChem (CID 7755156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).