2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-(1-phenylethyl)propanamide

C₁₉H₁₇N₃O₅ — CID 2914467

About 2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-(1-phenylethyl)propanamide

2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-(1-phenylethyl)propanamide (PubChem CID 2914467) has the molecular formula C₁₉H₁₇N₃O₅ and a molecular weight of 367.36 g/mol. Its IUPAC name is 2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-(1-phenylethyl)propanamide.

Molecular Properties

• Compound Name: 2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-(1-phenylethyl)propanamide
• PubChem CID: 2914467
• Molecular Formula: C₁₉H₁₇N₃O₅
• Molecular Weight: 367.36 g/mol
• Exact Mass: 367.12
• IUPAC Name: 2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-(1-phenylethyl)propanamide
• SMILES: CC(NC(=O)C(C)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccccc1
• InChI: InChI=1S/C19H17N3O5/c1-11(13-7-4-3-5-8-13)20-17(23)12(2)21-18(24)14-9-6-10-15(22(26)27)16(14)19(21)25/h3-12H,1-2H3,(H,20,23)
• InChIKey: YWWBSUZTIQZRSR-UHFFFAOYSA-N
• XLogP: 2.46
• TPSA: 109.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.36
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-(1-phenylethyl)propanamide?

The IUPAC name of 2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-(1-phenylethyl)propanamide (CID 2914467) is 2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-(1-phenylethyl)propanamide.

What is the SMILES notation for 2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-(1-phenylethyl)propanamide?

The canonical SMILES for 2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-(1-phenylethyl)propanamide is CC(NC(=O)C(C)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccccc1.

What is the InChIKey of 2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-(1-phenylethyl)propanamide?

The InChIKey is YWWBSUZTIQZRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O5/c1-11(13-7-4-3-5-8-13)20-17(23)12(2)21-18(24)14-9-6-10-15(22(26)27)16(14)19(21)25/h3-12H,1-2H3,(H,20,23).

What are the key properties of 2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-(1-phenylethyl)propanamide?

2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-(1-phenylethyl)propanamide has a molecular weight of 367.36 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-nitro-1,3-dioxoisoindol-2-yl)-N-(1-phenylethyl)propanamide is sourced from PubChem (CID 2914467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 2914467 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.