N-[2-[2-[2-(2-hydrazinyl-2-oxoethoxy)-3-[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]propoxy]ethoxy]ethyl]-2-[2-(2-methoxyethoxy)ethoxy]acetamide

C27H54N4O14 — CID 143266942

About N-[2-[2-[2-(2-hydrazinyl-2-oxoethoxy)-3-[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]propoxy]ethoxy]ethyl]-2-[2-(2-methoxyethoxy)ethoxy]acetamide

N-[2-[2-[2-(2-hydrazinyl-2-oxoethoxy)-3-[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]propoxy]ethoxy]ethyl]-2-[2-(2-methoxyethoxy)ethoxy]acetamide (PubChem CID 143266942) has the molecular formula C27H54N4O14 and a molecular weight of 658.74 g/mol. Its IUPAC name is N-[2-[2-[2-(2-hydrazinyl-2-oxoethoxy)-3-[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]propoxy]ethoxy]ethyl]-2-[2-(2-methoxyethoxy)ethoxy]acetamide.

Molecular Properties

• Compound Name: N-[2-[2-[2-(2-hydrazinyl-2-oxoethoxy)-3-[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]propoxy]ethoxy]ethyl]-2-[2-(2-methoxyethoxy)ethoxy]acetamide
• PubChem CID: 143266942
• Molecular Formula: C27H54N4O14
• Molecular Weight: 658.74 g/mol
• Exact Mass: 658.36
• IUPAC Name: N-[2-[2-[2-(2-hydrazinyl-2-oxoethoxy)-3-[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]propoxy]ethoxy]ethyl]-2-[2-(2-methoxyethoxy)ethoxy]acetamide
• SMILES: COCCOCCOCC(=O)NCCOCCOCC(COCCOCCNC(=O)COCCOCCOC)OCC(=O)NN
• InChI: InChI=1S/C27H54N4O14/c1-35-7-9-39-13-17-43-21-25(32)29-3-5-37-11-15-41-19-24(45-23-27(34)31-28)20-42-16-12-38-6-4-30-26(33)22-44-18-14-40-10-8-36-2/h24H,3-23,28H2,1-2H3,(H,29,32)(H,30,33)(H,31,34)
• InChIKey: DRFNECVBAKPXGD-UHFFFAOYSA-N
• XLogP: -2.98
• TPSA: 214.85 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 35
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	658.74
LogP ≤ 5	-2.98
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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 N-[2-[2-[2-(2-hydrazinyl-2-oxoethoxy)-3-[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]propoxy]ethoxy]ethyl]-2-[2-(2-methoxyethoxy)ethoxy]acetamide?

The IUPAC name of N-[2-[2-[2-(2-hydrazinyl-2-oxoethoxy)-3-[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]propoxy]ethoxy]ethyl]-2-[2-(2-methoxyethoxy)ethoxy]acetamide (CID 143266942) is N-[2-[2-[2-(2-hydrazinyl-2-oxoethoxy)-3-[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]propoxy]ethoxy]ethyl]-2-[2-(2-methoxyethoxy)ethoxy]acetamide.

What is the SMILES notation for N-[2-[2-[2-(2-hydrazinyl-2-oxoethoxy)-3-[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]propoxy]ethoxy]ethyl]-2-[2-(2-methoxyethoxy)ethoxy]acetamide?

The canonical SMILES for N-[2-[2-[2-(2-hydrazinyl-2-oxoethoxy)-3-[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]propoxy]ethoxy]ethyl]-2-[2-(2-methoxyethoxy)ethoxy]acetamide is COCCOCCOCC(=O)NCCOCCOCC(COCCOCCNC(=O)COCCOCCOC)OCC(=O)NN.

What is the InChIKey of N-[2-[2-[2-(2-hydrazinyl-2-oxoethoxy)-3-[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]propoxy]ethoxy]ethyl]-2-[2-(2-methoxyethoxy)ethoxy]acetamide?

The InChIKey is DRFNECVBAKPXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H54N4O14/c1-35-7-9-39-13-17-43-21-25(32)29-3-5-37-11-15-41-19-24(45-23-27(34)31-28)20-42-16-12-38-6-4-30-26(33)22-44-18-14-40-10-8-36-2/h24H,3-23,28H2,1-2H3,(H,29,32)(H,30,33)(H,31,34).

What are the key properties of N-[2-[2-[2-(2-hydrazinyl-2-oxoethoxy)-3-[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]propoxy]ethoxy]ethyl]-2-[2-(2-methoxyethoxy)ethoxy]acetamide?

N-[2-[2-[2-(2-hydrazinyl-2-oxoethoxy)-3-[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]propoxy]ethoxy]ethyl]-2-[2-(2-methoxyethoxy)ethoxy]acetamide has a molecular weight of 658.74 g/mol, XLogP of -2.98, 35 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[2-(2-hydrazinyl-2-oxoethoxy)-3-[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]propoxy]ethoxy]ethyl]-2-[2-(2-methoxyethoxy)ethoxy]acetamide is sourced from PubChem (CID 143266942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).