(E)-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-3-phenylprop-2-enamide

C₂₀H₁₈N₂O₄ — CID 117055084

About (E)-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-3-phenylprop-2-enamide

(E)-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-3-phenylprop-2-enamide (PubChem CID 117055084) has the molecular formula C₂₀H₁₈N₂O₄ and a molecular weight of 350.37 g/mol. Its IUPAC name is (E)-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-3-phenylprop-2-enamide.

Molecular Properties

• Compound Name: (E)-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-3-phenylprop-2-enamide
• PubChem CID: 117055084
• Molecular Formula: C₂₀H₁₈N₂O₄
• Molecular Weight: 350.37 g/mol
• Exact Mass: 350.13
• IUPAC Name: (E)-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-3-phenylprop-2-enamide
• SMILES: O=C(/C=C/c1ccccc1)NC(CN1C(=O)COC1=O)c1ccccc1
• InChI: InChI=1S/C20H18N2O4/c23-18(12-11-15-7-3-1-4-8-15)21-17(16-9-5-2-6-10-16)13-22-19(24)14-26-20(22)25/h1-12,17H,13-14H2,(H,21,23)/b12-11+
• InChIKey: HRJFMRGTLMKIQV-VAWYXSNFSA-N
• XLogP: 2.54
• TPSA: 75.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.37
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-3-phenylprop-2-enamide?

The IUPAC name of (E)-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-3-phenylprop-2-enamide (CID 117055084) is (E)-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-3-phenylprop-2-enamide.

What is the SMILES notation for (E)-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-3-phenylprop-2-enamide?

The canonical SMILES for (E)-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)NC(CN1C(=O)COC1=O)c1ccccc1.

What is the InChIKey of (E)-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-3-phenylprop-2-enamide?

The InChIKey is HRJFMRGTLMKIQV-VAWYXSNFSA-N. The full InChI is InChI=1S/C20H18N2O4/c23-18(12-11-15-7-3-1-4-8-15)21-17(16-9-5-2-6-10-16)13-22-19(24)14-26-20(22)25/h1-12,17H,13-14H2,(H,21,23)/b12-11+.

What are the key properties of (E)-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-3-phenylprop-2-enamide?

(E)-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-3-phenylprop-2-enamide has a molecular weight of 350.37 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-N-[2-(2,4-dioxo-1,3-oxazolidin-3-yl)-1-phenylethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 117055084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 117055084 — identifiers, structure, computed properties (public domain)

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