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

C19H34N2O5 — CID 153317713

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

N-[2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)ethyl]-3-[2-(3-methylbutoxy)ethoxy]propanamide (PubChem CID 153317713) has the molecular formula C19H34N2O5 and a molecular weight of 370.49 g/mol. Its IUPAC name is N-[2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)ethyl]-3-[2-(3-methylbutoxy)ethoxy]propanamide.

Molecular Properties

• Compound Name: N-[2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)ethyl]-3-[2-(3-methylbutoxy)ethoxy]propanamide
• PubChem CID: 153317713
• Molecular Formula: C19H34N2O5
• Molecular Weight: 370.49 g/mol
• Exact Mass: 370.25
• IUPAC Name: N-[2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)ethyl]-3-[2-(3-methylbutoxy)ethoxy]propanamide
• SMILES: CC(C)CCOCCOCCC(=O)NCCN1C(=O)CC(C(C)C)C1=O
• InChI: InChI=1S/C19H34N2O5/c1-14(2)5-9-25-11-12-26-10-6-17(22)20-7-8-21-18(23)13-16(15(3)4)19(21)24/h14-16H,5-13H2,1-4H3,(H,20,22)
• InChIKey: IOLFXZPMZVLTOG-UHFFFAOYSA-N
• XLogP: 1.60
• TPSA: 84.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.49
LogP ≤ 5	1.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

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]-3-[2-(3-methylbutoxy)ethoxy]propanamide?

The IUPAC name of N-[2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)ethyl]-3-[2-(3-methylbutoxy)ethoxy]propanamide (CID 153317713) is N-[2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)ethyl]-3-[2-(3-methylbutoxy)ethoxy]propanamide.

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

The canonical SMILES for N-[2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)ethyl]-3-[2-(3-methylbutoxy)ethoxy]propanamide is CC(C)CCOCCOCCC(=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]-3-[2-(3-methylbutoxy)ethoxy]propanamide?

The InChIKey is IOLFXZPMZVLTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O5/c1-14(2)5-9-25-11-12-26-10-6-17(22)20-7-8-21-18(23)13-16(15(3)4)19(21)24/h14-16H,5-13H2,1-4H3,(H,20,22).

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

N-[2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)ethyl]-3-[2-(3-methylbutoxy)ethoxy]propanamide has a molecular weight of 370.49 g/mol, XLogP of 1.60, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)ethyl]-3-[2-(3-methylbutoxy)ethoxy]propanamide is sourced from PubChem (CID 153317713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).