methyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium

C24H32N3O3+ — CID 9338626

About methyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium

methyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium (PubChem CID 9338626) has the molecular formula C24H32N3O3+ and a molecular weight of 410.54 g/mol. Its IUPAC name is methyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium.

Molecular Properties

• Compound Name: methyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
• PubChem CID: 9338626
• Molecular Formula: C24H32N3O3+
• Molecular Weight: 410.54 g/mol
• Exact Mass: 410.24
• IUPAC Name: methyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
• SMILES: CC(=O)[C@@H](Cc1ccccc1)NC(=O)C[NH+](C)CC(=O)Nc1c(C)cc(C)cc1C
• InChI: InChI=1S/C24H31N3O3/c1-16-11-17(2)24(18(3)12-16)26-23(30)15-27(5)14-22(29)25-21(19(4)28)13-20-9-7-6-8-10-20/h6-12,21H,13-15H2,1-5H3,(H,25,29)(H,26,30)/p+1/t21-/m1/s1
• InChIKey: HEHHXTXJHDKUOE-OAQYLSRUSA-O
• XLogP: 1.38
• TPSA: 79.71 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.54
LogP ≤ 5	1.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of methyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium?

The IUPAC name of methyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium (CID 9338626) is methyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium.

What is the SMILES notation for methyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium?

The canonical SMILES for methyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium is CC(=O)[C@@H](Cc1ccccc1)NC(=O)C[NH+](C)CC(=O)Nc1c(C)cc(C)cc1C.

What is the InChIKey of methyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium?

The InChIKey is HEHHXTXJHDKUOE-OAQYLSRUSA-O. The full InChI is InChI=1S/C24H31N3O3/c1-16-11-17(2)24(18(3)12-16)26-23(30)15-27(5)14-22(29)25-21(19(4)28)13-20-9-7-6-8-10-20/h6-12,21H,13-15H2,1-5H3,(H,25,29)(H,26,30)/p+1/t21-/m1/s1.

What are the key properties of methyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium?

methyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium has a molecular weight of 410.54 g/mol, XLogP of 1.38, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for methyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium is sourced from PubChem (CID 9338626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).