5-(4-ethylphenoxy)-2-formyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]benzamide

C28H29NO3 — CID 88896135

About 5-(4-ethylphenoxy)-2-formyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]benzamide

5-(4-ethylphenoxy)-2-formyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]benzamide (PubChem CID 88896135) has the molecular formula C28H29NO3 and a molecular weight of 427.54 g/mol. Its IUPAC name is 5-(4-ethylphenoxy)-2-formyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]benzamide.

Molecular Properties

• Compound Name: 5-(4-ethylphenoxy)-2-formyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]benzamide
• PubChem CID: 88896135
• Molecular Formula: C28H29NO3
• Molecular Weight: 427.54 g/mol
• Exact Mass: 427.21
• IUPAC Name: 5-(4-ethylphenoxy)-2-formyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]benzamide
• SMILES: C=C(C)c1cccc(C(C)(C)NC(=O)c2cc(Oc3ccc(CC)cc3)ccc2C=O)c1
• InChI: InChI=1S/C28H29NO3/c1-6-20-10-13-24(14-11-20)32-25-15-12-22(18-30)26(17-25)27(31)29-28(4,5)23-9-7-8-21(16-23)19(2)3/h7-18H,2,6H2,1,3-5H3,(H,29,31)
• InChIKey: FUTDICHFINQVRJ-UHFFFAOYSA-N
• XLogP: 6.55
• TPSA: 55.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	427.54
LogP ≤ 5	6.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylphenoxy)-2-formyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]benzamide?

The IUPAC name of 5-(4-ethylphenoxy)-2-formyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]benzamide (CID 88896135) is 5-(4-ethylphenoxy)-2-formyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]benzamide.

What is the SMILES notation for 5-(4-ethylphenoxy)-2-formyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]benzamide?

The canonical SMILES for 5-(4-ethylphenoxy)-2-formyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]benzamide is C=C(C)c1cccc(C(C)(C)NC(=O)c2cc(Oc3ccc(CC)cc3)ccc2C=O)c1.

What is the InChIKey of 5-(4-ethylphenoxy)-2-formyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]benzamide?

The InChIKey is FUTDICHFINQVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29NO3/c1-6-20-10-13-24(14-11-20)32-25-15-12-22(18-30)26(17-25)27(31)29-28(4,5)23-9-7-8-21(16-23)19(2)3/h7-18H,2,6H2,1,3-5H3,(H,29,31).

What are the key properties of 5-(4-ethylphenoxy)-2-formyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]benzamide?

5-(4-ethylphenoxy)-2-formyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]benzamide has a molecular weight of 427.54 g/mol, XLogP of 6.55, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-ethylphenoxy)-2-formyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]benzamide is sourced from PubChem (CID 88896135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).