3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(5-acetamido-4,8-dioxononoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-propan-2-ylpropanamide

C39H74N2O16 — CID 167706699

About 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(5-acetamido-4,8-dioxononoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-propan-2-ylpropanamide

3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(5-acetamido-4,8-dioxononoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-propan-2-ylpropanamide (PubChem CID 167706699) has the molecular formula C39H74N2O16 and a molecular weight of 827.02 g/mol. Its IUPAC name is 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(5-acetamido-4,8-dioxononoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-propan-2-ylpropanamide.

Molecular Properties

• Compound Name: 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(5-acetamido-4,8-dioxononoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-propan-2-ylpropanamide
• PubChem CID: 167706699
• Molecular Formula: C39H74N2O16
• Molecular Weight: 827.02 g/mol
• Exact Mass: 826.50
• IUPAC Name: 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(5-acetamido-4,8-dioxononoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-propan-2-ylpropanamide
• SMILES: CC(=O)CCC(NC(C)=O)C(=O)CCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NC(C)C
• InChI: InChI=1S/C39H74N2O16/c1-34(2)40-39(45)9-11-47-13-15-49-17-19-51-21-23-53-25-27-55-29-31-57-33-32-56-30-28-54-26-24-52-22-20-50-18-16-48-14-12-46-10-5-6-38(44)37(41-36(4)43)8-7-35(3)42/h34,37H,5-33H2,1-4H3,(H,40,45)(H,41,43)
• InChIKey: NKTJKTWRZLYSDA-UHFFFAOYSA-N
• XLogP: 1.32
• TPSA: 203.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 46
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	827.02
LogP ≤ 5	1.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(5-acetamido-4,8-dioxononoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-propan-2-ylpropanamide?

The IUPAC name of 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(5-acetamido-4,8-dioxononoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-propan-2-ylpropanamide (CID 167706699) is 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(5-acetamido-4,8-dioxononoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-propan-2-ylpropanamide.

What is the SMILES notation for 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(5-acetamido-4,8-dioxononoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-propan-2-ylpropanamide?

The canonical SMILES for 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(5-acetamido-4,8-dioxononoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-propan-2-ylpropanamide is CC(=O)CCC(NC(C)=O)C(=O)CCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NC(C)C.

What is the InChIKey of 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(5-acetamido-4,8-dioxononoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-propan-2-ylpropanamide?

The InChIKey is NKTJKTWRZLYSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H74N2O16/c1-34(2)40-39(45)9-11-47-13-15-49-17-19-51-21-23-53-25-27-55-29-31-57-33-32-56-30-28-54-26-24-52-22-20-50-18-16-48-14-12-46-10-5-6-38(44)37(41-36(4)43)8-7-35(3)42/h34,37H,5-33H2,1-4H3,(H,40,45)(H,41,43).

What are the key properties of 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(5-acetamido-4,8-dioxononoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-propan-2-ylpropanamide?

3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(5-acetamido-4,8-dioxononoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-propan-2-ylpropanamide has a molecular weight of 827.02 g/mol, XLogP of 1.32, 46 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(5-acetamido-4,8-dioxononoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-propan-2-ylpropanamide is sourced from PubChem (CID 167706699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).