2-[2-ethoxy-4-[(E)-3-(3-hydroxyphenyl)-3-oxoprop-1-enyl]phenoxy]-N-(2-methylphenyl)acetamide

C26H25NO5 — CID 19562910

About 2-[2-ethoxy-4-[(E)-3-(3-hydroxyphenyl)-3-oxoprop-1-enyl]phenoxy]-N-(2-methylphenyl)acetamide

2-[2-ethoxy-4-[(E)-3-(3-hydroxyphenyl)-3-oxoprop-1-enyl]phenoxy]-N-(2-methylphenyl)acetamide (PubChem CID 19562910) has the molecular formula C26H25NO5 and a molecular weight of 431.49 g/mol. Its IUPAC name is 2-[2-ethoxy-4-[(E)-3-(3-hydroxyphenyl)-3-oxoprop-1-enyl]phenoxy]-N-(2-methylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[2-ethoxy-4-[(E)-3-(3-hydroxyphenyl)-3-oxoprop-1-enyl]phenoxy]-N-(2-methylphenyl)acetamide
• PubChem CID: 19562910
• Molecular Formula: C26H25NO5
• Molecular Weight: 431.49 g/mol
• Exact Mass: 431.17
• IUPAC Name: 2-[2-ethoxy-4-[(E)-3-(3-hydroxyphenyl)-3-oxoprop-1-enyl]phenoxy]-N-(2-methylphenyl)acetamide
• SMILES: CCOc1cc(/C=C/C(=O)c2cccc(O)c2)ccc1OCC(=O)Nc1ccccc1C
• InChI: InChI=1S/C26H25NO5/c1-3-31-25-15-19(11-13-23(29)20-8-6-9-21(28)16-20)12-14-24(25)32-17-26(30)27-22-10-5-4-7-18(22)2/h4-16,28H,3,17H2,1-2H3,(H,27,30)/b13-11+
• InChIKey: RYTSGEGBNQRSJO-ACCUITESSA-N
• XLogP: 5.01
• TPSA: 84.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	431.49
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-4-[(E)-3-(3-hydroxyphenyl)-3-oxoprop-1-enyl]phenoxy]-N-(2-methylphenyl)acetamide?

The IUPAC name of 2-[2-ethoxy-4-[(E)-3-(3-hydroxyphenyl)-3-oxoprop-1-enyl]phenoxy]-N-(2-methylphenyl)acetamide (CID 19562910) is 2-[2-ethoxy-4-[(E)-3-(3-hydroxyphenyl)-3-oxoprop-1-enyl]phenoxy]-N-(2-methylphenyl)acetamide.

What is the SMILES notation for 2-[2-ethoxy-4-[(E)-3-(3-hydroxyphenyl)-3-oxoprop-1-enyl]phenoxy]-N-(2-methylphenyl)acetamide?

The canonical SMILES for 2-[2-ethoxy-4-[(E)-3-(3-hydroxyphenyl)-3-oxoprop-1-enyl]phenoxy]-N-(2-methylphenyl)acetamide is CCOc1cc(/C=C/C(=O)c2cccc(O)c2)ccc1OCC(=O)Nc1ccccc1C.

What is the InChIKey of 2-[2-ethoxy-4-[(E)-3-(3-hydroxyphenyl)-3-oxoprop-1-enyl]phenoxy]-N-(2-methylphenyl)acetamide?

The InChIKey is RYTSGEGBNQRSJO-ACCUITESSA-N. The full InChI is InChI=1S/C26H25NO5/c1-3-31-25-15-19(11-13-23(29)20-8-6-9-21(28)16-20)12-14-24(25)32-17-26(30)27-22-10-5-4-7-18(22)2/h4-16,28H,3,17H2,1-2H3,(H,27,30)/b13-11+.

What are the key properties of 2-[2-ethoxy-4-[(E)-3-(3-hydroxyphenyl)-3-oxoprop-1-enyl]phenoxy]-N-(2-methylphenyl)acetamide?

2-[2-ethoxy-4-[(E)-3-(3-hydroxyphenyl)-3-oxoprop-1-enyl]phenoxy]-N-(2-methylphenyl)acetamide has a molecular weight of 431.49 g/mol, XLogP of 5.01, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-ethoxy-4-[(E)-3-(3-hydroxyphenyl)-3-oxoprop-1-enyl]phenoxy]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 19562910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).