(4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-[2-[2-(6-methoxynaphthalen-2-yl)propanoylamino]ethoxy]ethyl]docosa-4,7,10,13,16,19-hexaenamide

C40H54N2O4 — CID 71293755

About (4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-[2-[2-(6-methoxynaphthalen-2-yl)propanoylamino]ethoxy]ethyl]docosa-4,7,10,13,16,19-hexaenamide

(4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-[2-[2-(6-methoxynaphthalen-2-yl)propanoylamino]ethoxy]ethyl]docosa-4,7,10,13,16,19-hexaenamide (PubChem CID 71293755) has the molecular formula C40H54N2O4 and a molecular weight of 626.88 g/mol. Its IUPAC name is (4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-[2-[2-(6-methoxynaphthalen-2-yl)propanoylamino]ethoxy]ethyl]docosa-4,7,10,13,16,19-hexaenamide.

Molecular Properties

• Compound Name: (4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-[2-[2-(6-methoxynaphthalen-2-yl)propanoylamino]ethoxy]ethyl]docosa-4,7,10,13,16,19-hexaenamide
• PubChem CID: 71293755
• Molecular Formula: C40H54N2O4
• Molecular Weight: 626.88 g/mol
• Exact Mass: 626.41
• IUPAC Name: (4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-[2-[2-(6-methoxynaphthalen-2-yl)propanoylamino]ethoxy]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)NCCOCCNC(=O)C(C)c1ccc2cc(OC)ccc2c1
• InChI: InChI=1S/C40H54N2O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-39(43)41-28-30-46-31-29-42-40(44)34(2)35-24-25-37-33-38(45-3)27-26-36(37)32-35/h5-6,8-9,11-12,14-15,17-18,20-21,24-27,32-34H,4,7,10,13,16,19,22-23,28-31H2,1-3H3,(H,41,43)(H,42,44)/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-
• InChIKey: FWEHMGWLXFSZKZ-YNUSHXQLSA-N
• XLogP: 8.68
• TPSA: 76.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 23
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	626.88
LogP ≤ 5	8.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

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 (4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-[2-[2-(6-methoxynaphthalen-2-yl)propanoylamino]ethoxy]ethyl]docosa-4,7,10,13,16,19-hexaenamide?

The IUPAC name of (4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-[2-[2-(6-methoxynaphthalen-2-yl)propanoylamino]ethoxy]ethyl]docosa-4,7,10,13,16,19-hexaenamide (CID 71293755) is (4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-[2-[2-(6-methoxynaphthalen-2-yl)propanoylamino]ethoxy]ethyl]docosa-4,7,10,13,16,19-hexaenamide.

What is the SMILES notation for (4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-[2-[2-(6-methoxynaphthalen-2-yl)propanoylamino]ethoxy]ethyl]docosa-4,7,10,13,16,19-hexaenamide?

The canonical SMILES for (4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-[2-[2-(6-methoxynaphthalen-2-yl)propanoylamino]ethoxy]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)NCCOCCNC(=O)C(C)c1ccc2cc(OC)ccc2c1.

What is the InChIKey of (4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-[2-[2-(6-methoxynaphthalen-2-yl)propanoylamino]ethoxy]ethyl]docosa-4,7,10,13,16,19-hexaenamide?

The InChIKey is FWEHMGWLXFSZKZ-YNUSHXQLSA-N. The full InChI is InChI=1S/C40H54N2O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-39(43)41-28-30-46-31-29-42-40(44)34(2)35-24-25-37-33-38(45-3)27-26-36(37)32-35/h5-6,8-9,11-12,14-15,17-18,20-21,24-27,32-34H,4,7,10,13,16,19,22-23,28-31H2,1-3H3,(H,41,43)(H,42,44)/b6-5-,9-8-,12-11-,15-14-,18-17-,21-20-.

What are the key properties of (4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-[2-[2-(6-methoxynaphthalen-2-yl)propanoylamino]ethoxy]ethyl]docosa-4,7,10,13,16,19-hexaenamide?

(4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-[2-[2-(6-methoxynaphthalen-2-yl)propanoylamino]ethoxy]ethyl]docosa-4,7,10,13,16,19-hexaenamide has a molecular weight of 626.88 g/mol, XLogP of 8.68, 23 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-[2-[2-(6-methoxynaphthalen-2-yl)propanoylamino]ethoxy]ethyl]docosa-4,7,10,13,16,19-hexaenamide is sourced from PubChem (CID 71293755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).