N-[2-oxo-2-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propylamino]ethyl]-2-phenylacetamide

C25H31N3O4 — CID 55958604

About N-[2-oxo-2-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propylamino]ethyl]-2-phenylacetamide

N-[2-oxo-2-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propylamino]ethyl]-2-phenylacetamide (PubChem CID 55958604) has the molecular formula C25H31N3O4 and a molecular weight of 437.54 g/mol. Its IUPAC name is N-[2-oxo-2-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propylamino]ethyl]-2-phenylacetamide.

Molecular Properties

• Compound Name: N-[2-oxo-2-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propylamino]ethyl]-2-phenylacetamide
• PubChem CID: 55958604
• Molecular Formula: C25H31N3O4
• Molecular Weight: 437.54 g/mol
• Exact Mass: 437.23
• IUPAC Name: N-[2-oxo-2-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propylamino]ethyl]-2-phenylacetamide
• SMILES: CCC(NC(=O)CNC(=O)Cc1ccccc1)c1ccccc1OCC(=O)N1CCCC1
• InChI: InChI=1S/C25H31N3O4/c1-2-21(27-24(30)17-26-23(29)16-19-10-4-3-5-11-19)20-12-6-7-13-22(20)32-18-25(31)28-14-8-9-15-28/h3-7,10-13,21H,2,8-9,14-18H2,1H3,(H,26,29)(H,27,30)
• InChIKey: HVCSNSZZKSUEQL-UHFFFAOYSA-N
• XLogP: 2.61
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.54
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propylamino]ethyl]-2-phenylacetamide?

The IUPAC name of N-[2-oxo-2-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propylamino]ethyl]-2-phenylacetamide (CID 55958604) is N-[2-oxo-2-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propylamino]ethyl]-2-phenylacetamide.

What is the SMILES notation for N-[2-oxo-2-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propylamino]ethyl]-2-phenylacetamide?

The canonical SMILES for N-[2-oxo-2-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propylamino]ethyl]-2-phenylacetamide is CCC(NC(=O)CNC(=O)Cc1ccccc1)c1ccccc1OCC(=O)N1CCCC1.

What is the InChIKey of N-[2-oxo-2-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propylamino]ethyl]-2-phenylacetamide?

The InChIKey is HVCSNSZZKSUEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4/c1-2-21(27-24(30)17-26-23(29)16-19-10-4-3-5-11-19)20-12-6-7-13-22(20)32-18-25(31)28-14-8-9-15-28/h3-7,10-13,21H,2,8-9,14-18H2,1H3,(H,26,29)(H,27,30).

What are the key properties of N-[2-oxo-2-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propylamino]ethyl]-2-phenylacetamide?

N-[2-oxo-2-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propylamino]ethyl]-2-phenylacetamide has a molecular weight of 437.54 g/mol, XLogP of 2.61, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-oxo-2-[1-[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propylamino]ethyl]-2-phenylacetamide is sourced from PubChem (CID 55958604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).