[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium

C24H33FN3O3+ — CID 8710559

About [2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium

[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium (PubChem CID 8710559) has the molecular formula C24H33FN3O3+ and a molecular weight of 430.54 g/mol. Its IUPAC name is [2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium.

Molecular Properties

• Compound Name: [2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
• PubChem CID: 8710559
• Molecular Formula: C24H33FN3O3+
• Molecular Weight: 430.54 g/mol
• Exact Mass: 430.25
• IUPAC Name: [2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
• SMILES: CCN(Cc1ccc(OC)c(F)c1)C(=O)C[NH+](C)CC(=O)Nc1c(C)cc(C)cc1C
• InChI: InChI=1S/C24H32FN3O3/c1-7-28(13-19-8-9-21(31-6)20(25)12-19)23(30)15-27(5)14-22(29)26-24-17(3)10-16(2)11-18(24)4/h8-12H,7,13-15H2,1-6H3,(H,26,29)/p+1
• InChIKey: KIFGXGNWGXRHGB-UHFFFAOYSA-O
• XLogP: 2.26
• TPSA: 63.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.54
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of [2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium?

The IUPAC name of [2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium (CID 8710559) is [2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium.

What is the SMILES notation for [2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium?

The canonical SMILES for [2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium is CCN(Cc1ccc(OC)c(F)c1)C(=O)C[NH+](C)CC(=O)Nc1c(C)cc(C)cc1C.

What is the InChIKey of [2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium?

The InChIKey is KIFGXGNWGXRHGB-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H32FN3O3/c1-7-28(13-19-8-9-21(31-6)20(25)12-19)23(30)15-27(5)14-22(29)26-24-17(3)10-16(2)11-18(24)4/h8-12H,7,13-15H2,1-6H3,(H,26,29)/p+1.

What are the key properties of [2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium?

[2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium has a molecular weight of 430.54 g/mol, XLogP of 2.26, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium is sourced from PubChem (CID 8710559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).