3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-[2-(3-oxopropoxy)ethyl]propanamide

C15H24N2O5 — CID 140650822

About 3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-[2-(3-oxopropoxy)ethyl]propanamide

3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-[2-(3-oxopropoxy)ethyl]propanamide (PubChem CID 140650822) has the molecular formula C15H24N2O5 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-[2-(3-oxopropoxy)ethyl]propanamide.

Molecular Properties

• Compound Name: 3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-[2-(3-oxopropoxy)ethyl]propanamide
• PubChem CID: 140650822
• Molecular Formula: C15H24N2O5
• Molecular Weight: 312.37 g/mol
• Exact Mass: 312.17
• IUPAC Name: 3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-[2-(3-oxopropoxy)ethyl]propanamide
• SMILES: CC(C)C1CC(=O)N(CCC(=O)NCCOCCC=O)C1=O
• InChI: InChI=1S/C15H24N2O5/c1-11(2)12-10-14(20)17(15(12)21)6-4-13(19)16-5-9-22-8-3-7-18/h7,11-12H,3-6,8-10H2,1-2H3,(H,16,19)
• InChIKey: DSSIGHXVNSIYBL-UHFFFAOYSA-N
• XLogP: 0.13
• TPSA: 92.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	312.37
LogP ≤ 5	0.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-[2-(3-oxopropoxy)ethyl]propanamide?

The IUPAC name of 3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-[2-(3-oxopropoxy)ethyl]propanamide (CID 140650822) is 3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-[2-(3-oxopropoxy)ethyl]propanamide.

What is the SMILES notation for 3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-[2-(3-oxopropoxy)ethyl]propanamide?

The canonical SMILES for 3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-[2-(3-oxopropoxy)ethyl]propanamide is CC(C)C1CC(=O)N(CCC(=O)NCCOCCC=O)C1=O.

What is the InChIKey of 3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-[2-(3-oxopropoxy)ethyl]propanamide?

The InChIKey is DSSIGHXVNSIYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O5/c1-11(2)12-10-14(20)17(15(12)21)6-4-13(19)16-5-9-22-8-3-7-18/h7,11-12H,3-6,8-10H2,1-2H3,(H,16,19).

What are the key properties of 3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-[2-(3-oxopropoxy)ethyl]propanamide?

3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-[2-(3-oxopropoxy)ethyl]propanamide has a molecular weight of 312.37 g/mol, XLogP of 0.13, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-[2-(3-oxopropoxy)ethyl]propanamide is sourced from PubChem (CID 140650822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).