N-benzyl-N-but-3-enyl-2-cyano-2-phenylacetamide

C₂₀H₂₀N₂O — CID 102216823

About N-benzyl-N-but-3-enyl-2-cyano-2-phenylacetamide

N-benzyl-N-but-3-enyl-2-cyano-2-phenylacetamide (PubChem CID 102216823) has the molecular formula C₂₀H₂₀N₂O and a molecular weight of 304.39 g/mol. Its IUPAC name is N-benzyl-N-but-3-enyl-2-cyano-2-phenylacetamide.

Molecular Properties

• Compound Name: N-benzyl-N-but-3-enyl-2-cyano-2-phenylacetamide
• PubChem CID: 102216823
• Molecular Formula: C₂₀H₂₀N₂O
• Molecular Weight: 304.39 g/mol
• Exact Mass: 304.16
• IUPAC Name: N-benzyl-N-but-3-enyl-2-cyano-2-phenylacetamide
• SMILES: C=CCCN(Cc1ccccc1)C(=O)C(C#N)c1ccccc1
• InChI: InChI=1S/C20H20N2O/c1-2-3-14-22(16-17-10-6-4-7-11-17)20(23)19(15-21)18-12-8-5-9-13-18/h2,4-13,19H,1,3,14,16H2
• InChIKey: UIQIZDHQECKEJL-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 44.10 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	304.39
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-but-3-enyl-2-cyano-2-phenylacetamide?

The IUPAC name of N-benzyl-N-but-3-enyl-2-cyano-2-phenylacetamide (CID 102216823) is N-benzyl-N-but-3-enyl-2-cyano-2-phenylacetamide.

What is the SMILES notation for N-benzyl-N-but-3-enyl-2-cyano-2-phenylacetamide?

The canonical SMILES for N-benzyl-N-but-3-enyl-2-cyano-2-phenylacetamide is C=CCCN(Cc1ccccc1)C(=O)C(C#N)c1ccccc1.

What is the InChIKey of N-benzyl-N-but-3-enyl-2-cyano-2-phenylacetamide?

The InChIKey is UIQIZDHQECKEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c1-2-3-14-22(16-17-10-6-4-7-11-17)20(23)19(15-21)18-12-8-5-9-13-18/h2,4-13,19H,1,3,14,16H2.

What are the key properties of N-benzyl-N-but-3-enyl-2-cyano-2-phenylacetamide?

N-benzyl-N-but-3-enyl-2-cyano-2-phenylacetamide has a molecular weight of 304.39 g/mol, XLogP of 3.90, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-N-but-3-enyl-2-cyano-2-phenylacetamide is sourced from PubChem (CID 102216823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 102216823 — identifiers, structure, computed properties (public domain)

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