N-[2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)ethyl]-7-methyloctanamide

C18H32N2O3 — CID 146319764

About N-[2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)ethyl]-7-methyloctanamide

N-[2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)ethyl]-7-methyloctanamide (PubChem CID 146319764) has the molecular formula C18H32N2O3 and a molecular weight of 324.47 g/mol. Its IUPAC name is N-[2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)ethyl]-7-methyloctanamide.

Molecular Properties

• Compound Name: N-[2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)ethyl]-7-methyloctanamide
• PubChem CID: 146319764
• Molecular Formula: C18H32N2O3
• Molecular Weight: 324.47 g/mol
• Exact Mass: 324.24
• IUPAC Name: N-[2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)ethyl]-7-methyloctanamide
• SMILES: CC(C)CCCCCC(=O)NCCN1C(=O)CC(C(C)C)C1=O
• InChI: InChI=1S/C18H32N2O3/c1-13(2)8-6-5-7-9-16(21)19-10-11-20-17(22)12-15(14(3)4)18(20)23/h13-15H,5-12H2,1-4H3,(H,19,21)
• InChIKey: IVFXFDIJIBHRTR-UHFFFAOYSA-N
• XLogP: 2.74
• TPSA: 66.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	324.47
LogP ≤ 5	2.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)ethyl]-7-methyloctanamide?

The IUPAC name of N-[2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)ethyl]-7-methyloctanamide (CID 146319764) is N-[2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)ethyl]-7-methyloctanamide.

What is the SMILES notation for N-[2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)ethyl]-7-methyloctanamide?

The canonical SMILES for N-[2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)ethyl]-7-methyloctanamide is CC(C)CCCCCC(=O)NCCN1C(=O)CC(C(C)C)C1=O.

What is the InChIKey of N-[2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)ethyl]-7-methyloctanamide?

The InChIKey is IVFXFDIJIBHRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O3/c1-13(2)8-6-5-7-9-16(21)19-10-11-20-17(22)12-15(14(3)4)18(20)23/h13-15H,5-12H2,1-4H3,(H,19,21).

What are the key properties of N-[2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)ethyl]-7-methyloctanamide?

N-[2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)ethyl]-7-methyloctanamide has a molecular weight of 324.47 g/mol, XLogP of 2.74, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)ethyl]-7-methyloctanamide is sourced from PubChem (CID 146319764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).