(Z)-N-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]octadec-9-enamide

C28H55NO6 — CID 102485842

About (Z)-N-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]octadec-9-enamide

(Z)-N-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]octadec-9-enamide (PubChem CID 102485842) has the molecular formula C28H55NO6 and a molecular weight of 501.75 g/mol. Its IUPAC name is (Z)-N-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]octadec-9-enamide.

Molecular Properties

• Compound Name: (Z)-N-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]octadec-9-enamide
• PubChem CID: 102485842
• Molecular Formula: C28H55NO6
• Molecular Weight: 501.75 g/mol
• Exact Mass: 501.40
• IUPAC Name: (Z)-N-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]octadec-9-enamide
• SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)NCCOCCOCCOCCOCCO
• InChI: InChI=1S/C28H55NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(31)29-18-20-32-22-24-34-26-27-35-25-23-33-21-19-30/h9-10,30H,2-8,11-27H2,1H3,(H,29,31)/b10-9-
• InChIKey: PICCNSLXPXUGTB-KTKRTIGZSA-N
• XLogP: 5.20
• TPSA: 86.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 29
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	501.75
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

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 (Z)-N-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]octadec-9-enamide?

The IUPAC name of (Z)-N-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]octadec-9-enamide (CID 102485842) is (Z)-N-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]octadec-9-enamide.

What is the SMILES notation for (Z)-N-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]octadec-9-enamide?

The canonical SMILES for (Z)-N-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]octadec-9-enamide is CCCCCCCC/C=C\CCCCCCCC(=O)NCCOCCOCCOCCOCCO.

What is the InChIKey of (Z)-N-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]octadec-9-enamide?

The InChIKey is PICCNSLXPXUGTB-KTKRTIGZSA-N. The full InChI is InChI=1S/C28H55NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(31)29-18-20-32-22-24-34-26-27-35-25-23-33-21-19-30/h9-10,30H,2-8,11-27H2,1H3,(H,29,31)/b10-9-.

What are the key properties of (Z)-N-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]octadec-9-enamide?

(Z)-N-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]octadec-9-enamide has a molecular weight of 501.75 g/mol, XLogP of 5.20, 29 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-N-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]octadec-9-enamide is sourced from PubChem (CID 102485842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).