(4E,7E,10E,13E,16E,19E)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]docosa-4,7,10,13,16,19-hexaenamide

C32H42N2O2 — CID 171042317

About (4E,7E,10E,13E,16E,19E)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]docosa-4,7,10,13,16,19-hexaenamide

(4E,7E,10E,13E,16E,19E)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]docosa-4,7,10,13,16,19-hexaenamide (PubChem CID 171042317) has the molecular formula C32H42N2O2 and a molecular weight of 486.70 g/mol. Its IUPAC name is (4E,7E,10E,13E,16E,19E)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]docosa-4,7,10,13,16,19-hexaenamide.

Molecular Properties

• Compound Name: (4E,7E,10E,13E,16E,19E)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]docosa-4,7,10,13,16,19-hexaenamide
• PubChem CID: 171042317
• Molecular Formula: C32H42N2O2
• Molecular Weight: 486.70 g/mol
• Exact Mass: 486.32
• IUPAC Name: (4E,7E,10E,13E,16E,19E)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]docosa-4,7,10,13,16,19-hexaenamide
• SMILES: CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCC(=O)NCCc1c[nH]c2ccc(O)cc12
• InChI: InChI=1S/C32H42N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(36)33-25-24-28-27-34-31-23-22-29(35)26-30(28)31/h3-4,6-7,9-10,12-13,15-16,18-19,22-23,26-27,34-35H,2,5,8,11,14,17,20-21,24-25H2,1H3,(H,33,36)/b4-3+,7-6+,10-9+,13-12+,16-15+,19-18+
• InChIKey: PRXMZJYZMPHWIP-SFGLVEFQSA-N
• XLogP: 8.01
• TPSA: 65.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 2
• Rotatable Bonds: 17
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.70
LogP ≤ 5	8.01
H-Bond Donors ≤ 5	3
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 (4E,7E,10E,13E,16E,19E)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]docosa-4,7,10,13,16,19-hexaenamide?

The IUPAC name of (4E,7E,10E,13E,16E,19E)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]docosa-4,7,10,13,16,19-hexaenamide (CID 171042317) is (4E,7E,10E,13E,16E,19E)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]docosa-4,7,10,13,16,19-hexaenamide.

What is the SMILES notation for (4E,7E,10E,13E,16E,19E)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]docosa-4,7,10,13,16,19-hexaenamide?

The canonical SMILES for (4E,7E,10E,13E,16E,19E)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]docosa-4,7,10,13,16,19-hexaenamide is CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCC(=O)NCCc1c[nH]c2ccc(O)cc12.

What is the InChIKey of (4E,7E,10E,13E,16E,19E)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]docosa-4,7,10,13,16,19-hexaenamide?

The InChIKey is PRXMZJYZMPHWIP-SFGLVEFQSA-N. The full InChI is InChI=1S/C32H42N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(36)33-25-24-28-27-34-31-23-22-29(35)26-30(28)31/h3-4,6-7,9-10,12-13,15-16,18-19,22-23,26-27,34-35H,2,5,8,11,14,17,20-21,24-25H2,1H3,(H,33,36)/b4-3+,7-6+,10-9+,13-12+,16-15+,19-18+.

What are the key properties of (4E,7E,10E,13E,16E,19E)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]docosa-4,7,10,13,16,19-hexaenamide?

(4E,7E,10E,13E,16E,19E)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]docosa-4,7,10,13,16,19-hexaenamide has a molecular weight of 486.70 g/mol, XLogP of 8.01, 17 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (4E,7E,10E,13E,16E,19E)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]docosa-4,7,10,13,16,19-hexaenamide is sourced from PubChem (CID 171042317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).