[2-(2,6-dimethylanilino)-2-oxoethyl]-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]-methylazanium

C22H32N3O2+ — CID 8793630

About [2-(2,6-dimethylanilino)-2-oxoethyl]-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]-methylazanium

[2-(2,6-dimethylanilino)-2-oxoethyl]-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]-methylazanium (PubChem CID 8793630) has the molecular formula C22H32N3O2+ and a molecular weight of 370.52 g/mol. Its IUPAC name is [2-(2,6-dimethylanilino)-2-oxoethyl]-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]-methylazanium.

Molecular Properties

• Compound Name: [2-(2,6-dimethylanilino)-2-oxoethyl]-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]-methylazanium
• PubChem CID: 8793630
• Molecular Formula: C22H32N3O2+
• Molecular Weight: 370.52 g/mol
• Exact Mass: 370.25
• IUPAC Name: [2-(2,6-dimethylanilino)-2-oxoethyl]-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]-methylazanium
• SMILES: Cc1cccc(C)c1NC(=O)C[NH+](C)CC(=O)c1cc(C)n(C(C)C)c1C
• InChI: InChI=1S/C22H31N3O2/c1-14(2)25-17(5)11-19(18(25)6)20(26)12-24(7)13-21(27)23-22-15(3)9-8-10-16(22)4/h8-11,14H,12-13H2,1-7H3,(H,23,27)/p+1
• InChIKey: QWVCIWUOEGLWPT-UHFFFAOYSA-O
• XLogP: 2.64
• TPSA: 55.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.52
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylanilino)-2-oxoethyl]-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]-methylazanium?

The IUPAC name of [2-(2,6-dimethylanilino)-2-oxoethyl]-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]-methylazanium (CID 8793630) is [2-(2,6-dimethylanilino)-2-oxoethyl]-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]-methylazanium.

What is the SMILES notation for [2-(2,6-dimethylanilino)-2-oxoethyl]-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]-methylazanium?

The canonical SMILES for [2-(2,6-dimethylanilino)-2-oxoethyl]-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]-methylazanium is Cc1cccc(C)c1NC(=O)C[NH+](C)CC(=O)c1cc(C)n(C(C)C)c1C.

What is the InChIKey of [2-(2,6-dimethylanilino)-2-oxoethyl]-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]-methylazanium?

The InChIKey is QWVCIWUOEGLWPT-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H31N3O2/c1-14(2)25-17(5)11-19(18(25)6)20(26)12-24(7)13-21(27)23-22-15(3)9-8-10-16(22)4/h8-11,14H,12-13H2,1-7H3,(H,23,27)/p+1.

What are the key properties of [2-(2,6-dimethylanilino)-2-oxoethyl]-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]-methylazanium?

[2-(2,6-dimethylanilino)-2-oxoethyl]-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]-methylazanium has a molecular weight of 370.52 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(2,6-dimethylanilino)-2-oxoethyl]-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 8793630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).