methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium

C16H23F3N3O2+ — CID 8896238

About methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium

methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium (PubChem CID 8896238) has the molecular formula C16H23F3N3O2+ and a molecular weight of 346.37 g/mol. Its IUPAC name is methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium.

Molecular Properties

• Compound Name: methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
• PubChem CID: 8896238
• Molecular Formula: C16H23F3N3O2+
• Molecular Weight: 346.37 g/mol
• Exact Mass: 346.17
• IUPAC Name: methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
• SMILES: Cc1cc(C)c(NC(=O)C[NH+](C)CC(=O)NCC(F)(F)F)c(C)c1
• InChI: InChI=1S/C16H22F3N3O2/c1-10-5-11(2)15(12(3)6-10)21-14(24)8-22(4)7-13(23)20-9-16(17,18)19/h5-6H,7-9H2,1-4H3,(H,20,23)(H,21,24)/p+1
• InChIKey: YCZZKJLJDPUNRZ-UHFFFAOYSA-O
• XLogP: 0.74
• TPSA: 62.64 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.37
LogP ≤ 5	0.74
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium?

The IUPAC name of methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium (CID 8896238) is methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium.

What is the SMILES notation for methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium?

The canonical SMILES for methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium is Cc1cc(C)c(NC(=O)C[NH+](C)CC(=O)NCC(F)(F)F)c(C)c1.

What is the InChIKey of methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium?

The InChIKey is YCZZKJLJDPUNRZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H22F3N3O2/c1-10-5-11(2)15(12(3)6-10)21-14(24)8-22(4)7-13(23)20-9-16(17,18)19/h5-6H,7-9H2,1-4H3,(H,20,23)(H,21,24)/p+1.

What are the key properties of methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium?

methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium has a molecular weight of 346.37 g/mol, XLogP of 0.74, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium is sourced from PubChem (CID 8896238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).