methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium

C17H24F3N4O4+ — CID 9366235

IUPACmethyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
SMILESCC(C)CNC(=O)NC(=O)C[NH+](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H23F3N4O4/c1-11(2)8-21-16(27)23-15(26)10-24(3)9-14(25)22-12-4-6-13(7-5-12)28-17(18,19)20/h4-7,11H,8-10H2,1-3H3,(H,22,25)(H2,21,23,26,27)/p+1
InChIKeyOHASBKOERHWIOF-UHFFFAOYSA-O
MW405.40 g/mol
LogP0.52
Rot. Bonds8

About methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium

methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium (PubChem CID 9366235) has the molecular formula C17H24F3N4O4+ and a molecular weight of 405.40 g/mol. Its IUPAC name is methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium.

Molecular Properties

Compound Namemethyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
PubChem CID9366235
Molecular FormulaC17H24F3N4O4+
Molecular Weight405.40 g/mol
Exact Mass405.17
IUPAC Namemethyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
SMILESCC(C)CNC(=O)NC(=O)C[NH+](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H23F3N4O4/c1-11(2)8-21-16(27)23-15(26)10-24(3)9-14(25)22-12-4-6-13(7-5-12)28-17(18,19)20/h4-7,11H,8-10H2,1-3H3,(H,22,25)(H2,21,23,26,27)/p+1
InChIKeyOHASBKOERHWIOF-UHFFFAOYSA-O
XLogP0.52
TPSA100.97 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.40
LogP ≤ 50.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium with MolForge

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Related Compounds

[2-(methoxycarbonylamino)-2-oxoethyl]-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
CID 9366371
(2-anilino-2-oxoethyl)-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
CID 9366572
[2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
CID 8642492
methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
CID 9366621
[2-(diethylamino)-2-oxoethyl]-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
CID 9366798
N-(2-methylpropyl)-2-[4-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]piperazin-1-yl]acetamide
CID 9435405
[2-(azocan-1-yl)-2-oxoethyl]-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
CID 8642357
methyl-[(5-methylfuran-2-yl)methyl]-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
CID 9102772
methyl-[(4-nitrophenyl)methyl]-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
CID 9366427
1-[2-methyl-3-(methylamino)propyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 115565113
[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]azanium
CID 9287497
(2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
CID 8641842

Frequently Asked Questions

What is the IUPAC name of methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium?
The IUPAC name of methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium (CID 9366235) is methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium.
What is the SMILES notation for methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium?
The canonical SMILES for methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium is CC(C)CNC(=O)NC(=O)C[NH+](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium?
The InChIKey is OHASBKOERHWIOF-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H23F3N4O4/c1-11(2)8-21-16(27)23-15(26)10-24(3)9-14(25)22-12-4-6-13(7-5-12)28-17(18,19)20/h4-7,11H,8-10H2,1-3H3,(H,22,25)(H2,21,23,26,27)/p+1.
What are the key properties of methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium?
methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium has a molecular weight of 405.40 g/mol, XLogP of 0.52, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium is sourced from PubChem (CID 9366235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).