(7Z,10Z,13Z,16Z)-N-[2-(1H-indol-3-yl)ethyl]docosa-7,10,13,16-tetraenamide

C32H46N2O — CID 171117139

About (7Z,10Z,13Z,16Z)-N-[2-(1H-indol-3-yl)ethyl]docosa-7,10,13,16-tetraenamide

(7Z,10Z,13Z,16Z)-N-[2-(1H-indol-3-yl)ethyl]docosa-7,10,13,16-tetraenamide (PubChem CID 171117139) has the molecular formula C32H46N2O and a molecular weight of 474.73 g/mol. Its IUPAC name is (7Z,10Z,13Z,16Z)-N-[2-(1H-indol-3-yl)ethyl]docosa-7,10,13,16-tetraenamide.

Molecular Properties

• Compound Name: (7Z,10Z,13Z,16Z)-N-[2-(1H-indol-3-yl)ethyl]docosa-7,10,13,16-tetraenamide
• PubChem CID: 171117139
• Molecular Formula: C32H46N2O
• Molecular Weight: 474.73 g/mol
• Exact Mass: 474.36
• IUPAC Name: (7Z,10Z,13Z,16Z)-N-[2-(1H-indol-3-yl)ethyl]docosa-7,10,13,16-tetraenamide
• SMILES: CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)NCCc1c[nH]c2ccccc12
• InChI: InChI=1S/C32H46N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-32(35)33-27-26-29-28-34-31-24-22-21-23-30(29)31/h6-7,9-10,12-13,15-16,21-24,28,34H,2-5,8,11,14,17-20,25-27H2,1H3,(H,33,35)/b7-6-,10-9-,13-12-,16-15-
• InChIKey: GBJDOITVXUISHY-DOFZRALJSA-N
• XLogP: 8.75
• TPSA: 44.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 1
• Rotatable Bonds: 19
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.73
LogP ≤ 5	8.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (7Z,10Z,13Z,16Z)-N-[2-(1H-indol-3-yl)ethyl]docosa-7,10,13,16-tetraenamide?

The IUPAC name of (7Z,10Z,13Z,16Z)-N-[2-(1H-indol-3-yl)ethyl]docosa-7,10,13,16-tetraenamide (CID 171117139) is (7Z,10Z,13Z,16Z)-N-[2-(1H-indol-3-yl)ethyl]docosa-7,10,13,16-tetraenamide.

What is the SMILES notation for (7Z,10Z,13Z,16Z)-N-[2-(1H-indol-3-yl)ethyl]docosa-7,10,13,16-tetraenamide?

The canonical SMILES for (7Z,10Z,13Z,16Z)-N-[2-(1H-indol-3-yl)ethyl]docosa-7,10,13,16-tetraenamide is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)NCCc1c[nH]c2ccccc12.

What is the InChIKey of (7Z,10Z,13Z,16Z)-N-[2-(1H-indol-3-yl)ethyl]docosa-7,10,13,16-tetraenamide?

The InChIKey is GBJDOITVXUISHY-DOFZRALJSA-N. The full InChI is InChI=1S/C32H46N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-32(35)33-27-26-29-28-34-31-24-22-21-23-30(29)31/h6-7,9-10,12-13,15-16,21-24,28,34H,2-5,8,11,14,17-20,25-27H2,1H3,(H,33,35)/b7-6-,10-9-,13-12-,16-15-.

What are the key properties of (7Z,10Z,13Z,16Z)-N-[2-(1H-indol-3-yl)ethyl]docosa-7,10,13,16-tetraenamide?

(7Z,10Z,13Z,16Z)-N-[2-(1H-indol-3-yl)ethyl]docosa-7,10,13,16-tetraenamide has a molecular weight of 474.73 g/mol, XLogP of 8.75, 19 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (7Z,10Z,13Z,16Z)-N-[2-(1H-indol-3-yl)ethyl]docosa-7,10,13,16-tetraenamide is sourced from PubChem (CID 171117139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).