[2-(2-methylanilino)-2-oxoethyl]-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-propylazanium

C24H29N4O3+ — CID 9348062

About [2-(2-methylanilino)-2-oxoethyl]-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-propylazanium

[2-(2-methylanilino)-2-oxoethyl]-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-propylazanium (PubChem CID 9348062) has the molecular formula C24H29N4O3+ and a molecular weight of 421.52 g/mol. Its IUPAC name is [2-(2-methylanilino)-2-oxoethyl]-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-propylazanium.

Molecular Properties

• Compound Name: [2-(2-methylanilino)-2-oxoethyl]-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-propylazanium
• PubChem CID: 9348062
• Molecular Formula: C24H29N4O3+
• Molecular Weight: 421.52 g/mol
• Exact Mass: 421.22
• IUPAC Name: [2-(2-methylanilino)-2-oxoethyl]-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-propylazanium
• SMILES: CCC[NH+](CC(=O)Nc1cc(-c2ccc(C)cc2)no1)CC(=O)Nc1ccccc1C
• InChI: InChI=1S/C24H28N4O3/c1-4-13-28(15-22(29)25-20-8-6-5-7-18(20)3)16-23(30)26-24-14-21(27-31-24)19-11-9-17(2)10-12-19/h5-12,14H,4,13,15-16H2,1-3H3,(H,25,29)(H,26,30)/p+1
• InChIKey: DXSUBQIAMDZPJA-UHFFFAOYSA-O
• XLogP: 2.83
• TPSA: 88.67 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.52
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylanilino)-2-oxoethyl]-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-propylazanium?

The IUPAC name of [2-(2-methylanilino)-2-oxoethyl]-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-propylazanium (CID 9348062) is [2-(2-methylanilino)-2-oxoethyl]-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-propylazanium.

What is the SMILES notation for [2-(2-methylanilino)-2-oxoethyl]-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-propylazanium?

The canonical SMILES for [2-(2-methylanilino)-2-oxoethyl]-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-propylazanium is CCC[NH+](CC(=O)Nc1cc(-c2ccc(C)cc2)no1)CC(=O)Nc1ccccc1C.

What is the InChIKey of [2-(2-methylanilino)-2-oxoethyl]-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-propylazanium?

The InChIKey is DXSUBQIAMDZPJA-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H28N4O3/c1-4-13-28(15-22(29)25-20-8-6-5-7-18(20)3)16-23(30)26-24-14-21(27-31-24)19-11-9-17(2)10-12-19/h5-12,14H,4,13,15-16H2,1-3H3,(H,25,29)(H,26,30)/p+1.

What are the key properties of [2-(2-methylanilino)-2-oxoethyl]-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-propylazanium?

[2-(2-methylanilino)-2-oxoethyl]-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-propylazanium has a molecular weight of 421.52 g/mol, XLogP of 2.83, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(2-methylanilino)-2-oxoethyl]-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]-propylazanium is sourced from PubChem (CID 9348062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).