(7Z,10Z,13Z,16Z)-N-[2-(3,4-dihydroxyphenyl)ethyl]docosa-7,10,13,16-tetraenamide

C30H45NO3 — CID 16759350

About (7Z,10Z,13Z,16Z)-N-[2-(3,4-dihydroxyphenyl)ethyl]docosa-7,10,13,16-tetraenamide

(7Z,10Z,13Z,16Z)-N-[2-(3,4-dihydroxyphenyl)ethyl]docosa-7,10,13,16-tetraenamide (PubChem CID 16759350) has the molecular formula C30H45NO3 and a molecular weight of 467.69 g/mol. Its IUPAC name is (7Z,10Z,13Z,16Z)-N-[2-(3,4-dihydroxyphenyl)ethyl]docosa-7,10,13,16-tetraenamide.

Molecular Properties

• Compound Name: (7Z,10Z,13Z,16Z)-N-[2-(3,4-dihydroxyphenyl)ethyl]docosa-7,10,13,16-tetraenamide
• PubChem CID: 16759350
• Molecular Formula: C30H45NO3
• Molecular Weight: 467.69 g/mol
• Exact Mass: 467.34
• IUPAC Name: (7Z,10Z,13Z,16Z)-N-[2-(3,4-dihydroxyphenyl)ethyl]docosa-7,10,13,16-tetraenamide
• SMILES: CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)NCCc1ccc(O)c(O)c1
• InChI: InChI=1S/C30H45NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-30(34)31-25-24-27-22-23-28(32)29(33)26-27/h6-7,9-10,12-13,15-16,22-23,26,32-33H,2-5,8,11,14,17-21,24-25H2,1H3,(H,31,34)/b7-6-,10-9-,13-12-,16-15-
• InChIKey: UOCRCGASDRJYPD-DOFZRALJSA-N
• XLogP: 7.68
• TPSA: 69.56 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 19
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.69
LogP ≤ 5	7.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', '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-(3,4-dihydroxyphenyl)ethyl]docosa-7,10,13,16-tetraenamide?

The IUPAC name of (7Z,10Z,13Z,16Z)-N-[2-(3,4-dihydroxyphenyl)ethyl]docosa-7,10,13,16-tetraenamide (CID 16759350) is (7Z,10Z,13Z,16Z)-N-[2-(3,4-dihydroxyphenyl)ethyl]docosa-7,10,13,16-tetraenamide.

What is the SMILES notation for (7Z,10Z,13Z,16Z)-N-[2-(3,4-dihydroxyphenyl)ethyl]docosa-7,10,13,16-tetraenamide?

The canonical SMILES for (7Z,10Z,13Z,16Z)-N-[2-(3,4-dihydroxyphenyl)ethyl]docosa-7,10,13,16-tetraenamide is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)NCCc1ccc(O)c(O)c1.

What is the InChIKey of (7Z,10Z,13Z,16Z)-N-[2-(3,4-dihydroxyphenyl)ethyl]docosa-7,10,13,16-tetraenamide?

The InChIKey is UOCRCGASDRJYPD-DOFZRALJSA-N. The full InChI is InChI=1S/C30H45NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-30(34)31-25-24-27-22-23-28(32)29(33)26-27/h6-7,9-10,12-13,15-16,22-23,26,32-33H,2-5,8,11,14,17-21,24-25H2,1H3,(H,31,34)/b7-6-,10-9-,13-12-,16-15-.

What are the key properties of (7Z,10Z,13Z,16Z)-N-[2-(3,4-dihydroxyphenyl)ethyl]docosa-7,10,13,16-tetraenamide?

(7Z,10Z,13Z,16Z)-N-[2-(3,4-dihydroxyphenyl)ethyl]docosa-7,10,13,16-tetraenamide has a molecular weight of 467.69 g/mol, XLogP of 7.68, 19 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (7Z,10Z,13Z,16Z)-N-[2-(3,4-dihydroxyphenyl)ethyl]docosa-7,10,13,16-tetraenamide is sourced from PubChem (CID 16759350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).