2-[3-[2-[[2-[3-[2-[[2-[3-[2-[[2-[2-(2-hydrazinylethoxy)ethoxy]acetyl]amino]ethoxy]propoxy]acetyl]amino]ethoxy]propoxy]acetyl]amino]ethoxy]propoxy]acetamide

C27H54N6O12 — CID 123291674

About 2-[3-[2-[[2-[3-[2-[[2-[3-[2-[[2-[2-(2-hydrazinylethoxy)ethoxy]acetyl]amino]ethoxy]propoxy]acetyl]amino]ethoxy]propoxy]acetyl]amino]ethoxy]propoxy]acetamide

2-[3-[2-[[2-[3-[2-[[2-[3-[2-[[2-[2-(2-hydrazinylethoxy)ethoxy]acetyl]amino]ethoxy]propoxy]acetyl]amino]ethoxy]propoxy]acetyl]amino]ethoxy]propoxy]acetamide (PubChem CID 123291674) has the molecular formula C27H54N6O12 and a molecular weight of 654.76 g/mol. Its IUPAC name is 2-[3-[2-[[2-[3-[2-[[2-[3-[2-[[2-[2-(2-hydrazinylethoxy)ethoxy]acetyl]amino]ethoxy]propoxy]acetyl]amino]ethoxy]propoxy]acetyl]amino]ethoxy]propoxy]acetamide.

Molecular Properties

• Compound Name: 2-[3-[2-[[2-[3-[2-[[2-[3-[2-[[2-[2-(2-hydrazinylethoxy)ethoxy]acetyl]amino]ethoxy]propoxy]acetyl]amino]ethoxy]propoxy]acetyl]amino]ethoxy]propoxy]acetamide
• PubChem CID: 123291674
• Molecular Formula: C27H54N6O12
• Molecular Weight: 654.76 g/mol
• Exact Mass: 654.38
• IUPAC Name: 2-[3-[2-[[2-[3-[2-[[2-[3-[2-[[2-[2-(2-hydrazinylethoxy)ethoxy]acetyl]amino]ethoxy]propoxy]acetyl]amino]ethoxy]propoxy]acetyl]amino]ethoxy]propoxy]acetamide
• SMILES: NNCCOCCOCC(=O)NCCOCCCOCC(=O)NCCOCCCOCC(=O)NCCOCCCOCC(N)=O
• InChI: InChI=1S/C27H54N6O12/c28-24(34)20-42-11-1-8-38-14-4-30-25(35)21-43-12-2-9-39-15-5-31-26(36)22-44-13-3-10-40-16-6-32-27(37)23-45-19-18-41-17-7-33-29/h33H,1-23,29H2,(H2,28,34)(H,30,35)(H,31,36)(H,32,37)
• InChIKey: HVVSGPVOUQCVFX-UHFFFAOYSA-N
• XLogP: -3.41
• TPSA: 242.28 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 35
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	654.76
LogP ≤ 5	-3.41
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[[2-[3-[2-[[2-[3-[2-[[2-[2-(2-hydrazinylethoxy)ethoxy]acetyl]amino]ethoxy]propoxy]acetyl]amino]ethoxy]propoxy]acetyl]amino]ethoxy]propoxy]acetamide?

The IUPAC name of 2-[3-[2-[[2-[3-[2-[[2-[3-[2-[[2-[2-(2-hydrazinylethoxy)ethoxy]acetyl]amino]ethoxy]propoxy]acetyl]amino]ethoxy]propoxy]acetyl]amino]ethoxy]propoxy]acetamide (CID 123291674) is 2-[3-[2-[[2-[3-[2-[[2-[3-[2-[[2-[2-(2-hydrazinylethoxy)ethoxy]acetyl]amino]ethoxy]propoxy]acetyl]amino]ethoxy]propoxy]acetyl]amino]ethoxy]propoxy]acetamide.

What is the SMILES notation for 2-[3-[2-[[2-[3-[2-[[2-[3-[2-[[2-[2-(2-hydrazinylethoxy)ethoxy]acetyl]amino]ethoxy]propoxy]acetyl]amino]ethoxy]propoxy]acetyl]amino]ethoxy]propoxy]acetamide?

The canonical SMILES for 2-[3-[2-[[2-[3-[2-[[2-[3-[2-[[2-[2-(2-hydrazinylethoxy)ethoxy]acetyl]amino]ethoxy]propoxy]acetyl]amino]ethoxy]propoxy]acetyl]amino]ethoxy]propoxy]acetamide is NNCCOCCOCC(=O)NCCOCCCOCC(=O)NCCOCCCOCC(=O)NCCOCCCOCC(N)=O.

What is the InChIKey of 2-[3-[2-[[2-[3-[2-[[2-[3-[2-[[2-[2-(2-hydrazinylethoxy)ethoxy]acetyl]amino]ethoxy]propoxy]acetyl]amino]ethoxy]propoxy]acetyl]amino]ethoxy]propoxy]acetamide?

The InChIKey is HVVSGPVOUQCVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H54N6O12/c28-24(34)20-42-11-1-8-38-14-4-30-25(35)21-43-12-2-9-39-15-5-31-26(36)22-44-13-3-10-40-16-6-32-27(37)23-45-19-18-41-17-7-33-29/h33H,1-23,29H2,(H2,28,34)(H,30,35)(H,31,36)(H,32,37).

What are the key properties of 2-[3-[2-[[2-[3-[2-[[2-[3-[2-[[2-[2-(2-hydrazinylethoxy)ethoxy]acetyl]amino]ethoxy]propoxy]acetyl]amino]ethoxy]propoxy]acetyl]amino]ethoxy]propoxy]acetamide?

2-[3-[2-[[2-[3-[2-[[2-[3-[2-[[2-[2-(2-hydrazinylethoxy)ethoxy]acetyl]amino]ethoxy]propoxy]acetyl]amino]ethoxy]propoxy]acetyl]amino]ethoxy]propoxy]acetamide has a molecular weight of 654.76 g/mol, XLogP of -3.41, 35 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[2-[[2-[3-[2-[[2-[3-[2-[[2-[2-(2-hydrazinylethoxy)ethoxy]acetyl]amino]ethoxy]propoxy]acetyl]amino]ethoxy]propoxy]acetyl]amino]ethoxy]propoxy]acetamide is sourced from PubChem (CID 123291674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).