[2-(3,4-diethoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium

C24H34N3O4+ — CID 7991330

About [2-(3,4-diethoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium

[2-(3,4-diethoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium (PubChem CID 7991330) has the molecular formula C24H34N3O4+ and a molecular weight of 428.55 g/mol. Its IUPAC name is [2-(3,4-diethoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium.

Molecular Properties

• Compound Name: [2-(3,4-diethoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium
• PubChem CID: 7991330
• Molecular Formula: C24H34N3O4+
• Molecular Weight: 428.55 g/mol
• Exact Mass: 428.25
• IUPAC Name: [2-(3,4-diethoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium
• SMILES: CCOc1ccc(NC(=O)C[NH+](C)CC(=O)Nc2ccccc2C(C)C)cc1OCC
• InChI: InChI=1S/C24H33N3O4/c1-6-30-21-13-12-18(14-22(21)31-7-2)25-23(28)15-27(5)16-24(29)26-20-11-9-8-10-19(20)17(3)4/h8-14,17H,6-7,15-16H2,1-5H3,(H,25,28)(H,26,29)/p+1
• InChIKey: ALBGWZCKOHXZRZ-UHFFFAOYSA-O
• XLogP: 2.70
• TPSA: 81.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.55
LogP ≤ 5	2.70
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-diethoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium?

The IUPAC name of [2-(3,4-diethoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium (CID 7991330) is [2-(3,4-diethoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium.

What is the SMILES notation for [2-(3,4-diethoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium?

The canonical SMILES for [2-(3,4-diethoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium is CCOc1ccc(NC(=O)C[NH+](C)CC(=O)Nc2ccccc2C(C)C)cc1OCC.

What is the InChIKey of [2-(3,4-diethoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium?

The InChIKey is ALBGWZCKOHXZRZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H33N3O4/c1-6-30-21-13-12-18(14-22(21)31-7-2)25-23(28)15-27(5)16-24(29)26-20-11-9-8-10-19(20)17(3)4/h8-14,17H,6-7,15-16H2,1-5H3,(H,25,28)(H,26,29)/p+1.

What are the key properties of [2-(3,4-diethoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium?

[2-(3,4-diethoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium has a molecular weight of 428.55 g/mol, XLogP of 2.70, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(3,4-diethoxyanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]azanium is sourced from PubChem (CID 7991330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).