methyl-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium

C19H31N4O3+ — CID 8622689

About methyl-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium

methyl-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium (PubChem CID 8622689) has the molecular formula C19H31N4O3+ and a molecular weight of 363.48 g/mol. Its IUPAC name is methyl-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium.

Molecular Properties

• Compound Name: methyl-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
• PubChem CID: 8622689
• Molecular Formula: C19H31N4O3+
• Molecular Weight: 363.48 g/mol
• Exact Mass: 363.24
• IUPAC Name: methyl-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
• SMILES: Cc1cc(C)c(NC(=O)C[NH+](C)CC(=O)NCC(=O)NC(C)C)c(C)c1
• InChI: InChI=1S/C19H30N4O3/c1-12(2)21-16(24)9-20-17(25)10-23(6)11-18(26)22-19-14(4)7-13(3)8-15(19)5/h7-8,12H,9-11H2,1-6H3,(H,20,25)(H,21,24)(H,22,26)/p+1
• InChIKey: GGRGOFVKSPJRNM-UHFFFAOYSA-O
• XLogP: -0.29
• TPSA: 91.74 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.48
LogP ≤ 5	-0.29
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of methyl-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium?

The IUPAC name of methyl-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium (CID 8622689) is methyl-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium.

What is the SMILES notation for methyl-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium?

The canonical SMILES for methyl-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium is Cc1cc(C)c(NC(=O)C[NH+](C)CC(=O)NCC(=O)NC(C)C)c(C)c1.

What is the InChIKey of methyl-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium?

The InChIKey is GGRGOFVKSPJRNM-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H30N4O3/c1-12(2)21-16(24)9-20-17(25)10-23(6)11-18(26)22-19-14(4)7-13(3)8-15(19)5/h7-8,12H,9-11H2,1-6H3,(H,20,25)(H,21,24)(H,22,26)/p+1.

What are the key properties of methyl-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium?

methyl-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium has a molecular weight of 363.48 g/mol, XLogP of -0.29, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for methyl-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium is sourced from PubChem (CID 8622689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).