[2-(tert-butylcarbamoylamino)-2-oxoethyl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium

C16H24F2N3O3+ — CID 9023440

IUPAC[2-(tert-butylcarbamoylamino)-2-oxoethyl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium
SMILESC[NH+](CC(=O)NC(=O)NC(C)(C)C)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C16H23F2N3O3/c1-16(2,3)20-15(23)19-13(22)10-21(4)9-11-5-7-12(8-6-11)24-14(17)18/h5-8,14H,9-10H2,1-4H3,(H2,19,20,22,23)/p+1
InChIKeyQCZLRXGSZWPLEM-UHFFFAOYSA-O
MW344.38 g/mol
LogP0.93
Rot. Bonds6

About [2-(tert-butylcarbamoylamino)-2-oxoethyl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium

[2-(tert-butylcarbamoylamino)-2-oxoethyl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium (PubChem CID 9023440) has the molecular formula C16H24F2N3O3+ and a molecular weight of 344.38 g/mol. Its IUPAC name is [2-(tert-butylcarbamoylamino)-2-oxoethyl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium.

Molecular Properties

Compound Name[2-(tert-butylcarbamoylamino)-2-oxoethyl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium
PubChem CID9023440
Molecular FormulaC16H24F2N3O3+
Molecular Weight344.38 g/mol
Exact Mass344.18
IUPAC Name[2-(tert-butylcarbamoylamino)-2-oxoethyl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium
SMILESC[NH+](CC(=O)NC(=O)NC(C)(C)C)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C16H23F2N3O3/c1-16(2,3)20-15(23)19-13(22)10-21(4)9-11-5-7-12(8-6-11)24-14(17)18/h5-8,14H,9-10H2,1-4H3,(H2,19,20,22,23)/p+1
InChIKeyQCZLRXGSZWPLEM-UHFFFAOYSA-O
XLogP0.93
TPSA71.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [2-(tert-butylcarbamoylamino)-2-oxoethyl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium with MolForge

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Related Compounds

[4-(difluoromethoxy)phenyl]methyl-methyl-[2-(methylcarbamoylamino)-2-oxoethyl]azanium
CID 8709316
[4-(difluoromethoxy)phenyl]methyl-methyl-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium
CID 9023444
[2-(tert-butylcarbamoylamino)-2-oxoethyl]-[(4-ethylphenyl)methyl]-methylazanium
CID 8907562
[2-(tert-butylcarbamoylamino)-2-oxoethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium
CID 2699452
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium
CID 9023767
[2-(4-carbamoylanilino)-2-oxoethyl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium
CID 9023992
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium
CID 9028860
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium
CID 9023807
[4-(difluoromethoxy)phenyl]methyl-methyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]azanium
CID 9023713
[2-(tert-butylamino)-2-oxoethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium
CID 8767584
[2-(4-chloro-2-nitroanilino)-2-oxoethyl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium
CID 9024087
methyl-[2-(methylcarbamoylamino)-2-oxoethyl]-[[4-(trifluoromethyl)phenyl]methyl]azanium
CID 8710176

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylcarbamoylamino)-2-oxoethyl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium?
The IUPAC name of [2-(tert-butylcarbamoylamino)-2-oxoethyl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium (CID 9023440) is [2-(tert-butylcarbamoylamino)-2-oxoethyl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium.
What is the SMILES notation for [2-(tert-butylcarbamoylamino)-2-oxoethyl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium?
The canonical SMILES for [2-(tert-butylcarbamoylamino)-2-oxoethyl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium is C[NH+](CC(=O)NC(=O)NC(C)(C)C)Cc1ccc(OC(F)F)cc1.
What is the InChIKey of [2-(tert-butylcarbamoylamino)-2-oxoethyl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium?
The InChIKey is QCZLRXGSZWPLEM-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H23F2N3O3/c1-16(2,3)20-15(23)19-13(22)10-21(4)9-11-5-7-12(8-6-11)24-14(17)18/h5-8,14H,9-10H2,1-4H3,(H2,19,20,22,23)/p+1.
What are the key properties of [2-(tert-butylcarbamoylamino)-2-oxoethyl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium?
[2-(tert-butylcarbamoylamino)-2-oxoethyl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium has a molecular weight of 344.38 g/mol, XLogP of 0.93, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylcarbamoylamino)-2-oxoethyl]-[[4-(difluoromethoxy)phenyl]methyl]-methylazanium is sourced from PubChem (CID 9023440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).