methyl-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]-[2-oxo-2-(propylamino)ethyl]azanium

C18H27N4O3+ — CID 8790197

About methyl-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]-[2-oxo-2-(propylamino)ethyl]azanium

methyl-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]-[2-oxo-2-(propylamino)ethyl]azanium (PubChem CID 8790197) has the molecular formula C18H27N4O3+ and a molecular weight of 347.44 g/mol. Its IUPAC name is methyl-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]-[2-oxo-2-(propylamino)ethyl]azanium.

Molecular Properties

• Compound Name: methyl-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]-[2-oxo-2-(propylamino)ethyl]azanium
• PubChem CID: 8790197
• Molecular Formula: C18H27N4O3+
• Molecular Weight: 347.44 g/mol
• Exact Mass: 347.21
• IUPAC Name: methyl-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]-[2-oxo-2-(propylamino)ethyl]azanium
• SMILES: CCCNC(=O)C[NH+](C)CC(=O)Nc1ccc(N2CCCC2=O)cc1
• InChI: InChI=1S/C18H26N4O3/c1-3-10-19-16(23)12-21(2)13-17(24)20-14-6-8-15(9-7-14)22-11-4-5-18(22)25/h6-9H,3-5,10-13H2,1-2H3,(H,19,23)(H,20,24)/p+1
• InChIKey: LHYNDORCPJQYMP-UHFFFAOYSA-O
• XLogP: -0.21
• TPSA: 82.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.44
LogP ≤ 5	-0.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of methyl-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]-[2-oxo-2-(propylamino)ethyl]azanium?

The IUPAC name of methyl-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]-[2-oxo-2-(propylamino)ethyl]azanium (CID 8790197) is methyl-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]-[2-oxo-2-(propylamino)ethyl]azanium.

What is the SMILES notation for methyl-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]-[2-oxo-2-(propylamino)ethyl]azanium?

The canonical SMILES for methyl-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]-[2-oxo-2-(propylamino)ethyl]azanium is CCCNC(=O)C[NH+](C)CC(=O)Nc1ccc(N2CCCC2=O)cc1.

What is the InChIKey of methyl-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]-[2-oxo-2-(propylamino)ethyl]azanium?

The InChIKey is LHYNDORCPJQYMP-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H26N4O3/c1-3-10-19-16(23)12-21(2)13-17(24)20-14-6-8-15(9-7-14)22-11-4-5-18(22)25/h6-9H,3-5,10-13H2,1-2H3,(H,19,23)(H,20,24)/p+1.

What are the key properties of methyl-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]-[2-oxo-2-(propylamino)ethyl]azanium?

methyl-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]-[2-oxo-2-(propylamino)ethyl]azanium has a molecular weight of 347.44 g/mol, XLogP of -0.21, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for methyl-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]-[2-oxo-2-(propylamino)ethyl]azanium is sourced from PubChem (CID 8790197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).