2-[2-[2-[2-[2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-prop-2-ynoxybenzamide

C28H44N2O10 — CID 87659895

About 2-[2-[2-[2-[2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-prop-2-ynoxybenzamide

2-[2-[2-[2-[2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-prop-2-ynoxybenzamide (PubChem CID 87659895) has the molecular formula C28H44N2O10 and a molecular weight of 568.66 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-prop-2-ynoxybenzamide.

Molecular Properties

• Compound Name: 2-[2-[2-[2-[2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-prop-2-ynoxybenzamide
• PubChem CID: 87659895
• Molecular Formula: C28H44N2O10
• Molecular Weight: 568.66 g/mol
• Exact Mass: 568.30
• IUPAC Name: 2-[2-[2-[2-[2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-prop-2-ynoxybenzamide
• SMILES: C#CCOc1cccc(C(N)=O)c1CCOCCOCCOCCOCCOCCOCCOCCNC(C)=O
• InChI: InChI=1S/C28H44N2O10/c1-3-9-40-27-6-4-5-26(28(29)32)25(27)7-10-33-12-14-35-16-18-37-20-22-39-23-21-38-19-17-36-15-13-34-11-8-30-24(2)31/h1,4-6H,7-23H2,2H3,(H2,29,32)(H,30,31)
• InChIKey: CASZHQWKGQEGMT-UHFFFAOYSA-N
• XLogP: 0.59
• TPSA: 146.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 27
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	568.66
LogP ≤ 5	0.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-prop-2-ynoxybenzamide?

The IUPAC name of 2-[2-[2-[2-[2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-prop-2-ynoxybenzamide (CID 87659895) is 2-[2-[2-[2-[2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-prop-2-ynoxybenzamide.

What is the SMILES notation for 2-[2-[2-[2-[2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-prop-2-ynoxybenzamide?

The canonical SMILES for 2-[2-[2-[2-[2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-prop-2-ynoxybenzamide is C#CCOc1cccc(C(N)=O)c1CCOCCOCCOCCOCCOCCOCCOCCNC(C)=O.

What is the InChIKey of 2-[2-[2-[2-[2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-prop-2-ynoxybenzamide?

The InChIKey is CASZHQWKGQEGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H44N2O10/c1-3-9-40-27-6-4-5-26(28(29)32)25(27)7-10-33-12-14-35-16-18-37-20-22-39-23-21-38-19-17-36-15-13-34-11-8-30-24(2)31/h1,4-6H,7-23H2,2H3,(H2,29,32)(H,30,31).

What are the key properties of 2-[2-[2-[2-[2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-prop-2-ynoxybenzamide?

2-[2-[2-[2-[2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-prop-2-ynoxybenzamide has a molecular weight of 568.66 g/mol, XLogP of 0.59, 27 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[2-[2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-prop-2-ynoxybenzamide is sourced from PubChem (CID 87659895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).