N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]acetamide

C41H69N9O15 — CID 172653535

About N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]acetamide

N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]acetamide (PubChem CID 172653535) has the molecular formula C41H69N9O15 and a molecular weight of 928.05 g/mol. Its IUPAC name is N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]acetamide.

Molecular Properties

• Compound Name: N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]acetamide
• PubChem CID: 172653535
• Molecular Formula: C41H69N9O15
• Molecular Weight: 928.05 g/mol
• Exact Mass: 927.49
• IUPAC Name: N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]acetamide
• SMILES: Cc1nnc(-c2ccc(CC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CNC(=O)CNC(=O)CN)cc2)nn1
• InChI: InChI=1S/C41H69N9O15/c1-34-47-49-41(50-48-34)36-4-2-35(3-5-36)30-37(51)43-6-8-55-10-12-57-14-16-59-18-20-61-22-24-63-26-28-65-29-27-64-25-23-62-21-19-60-17-15-58-13-11-56-9-7-44-39(53)32-46-40(54)33-45-38(52)31-42/h2-5H,6-33,42H2,1H3,(H,43,51)(H,44,53)(H,45,52)(H,46,54)
• InChIKey: ZMNZSFQJTXPKKM-UHFFFAOYSA-N
• XLogP: -2.61
• TPSA: 295.51 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 44
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	928.05
LogP ≤ 5	-2.61
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]acetamide?

The IUPAC name of N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]acetamide (CID 172653535) is N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]acetamide.

What is the SMILES notation for N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]acetamide?

The canonical SMILES for N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]acetamide is Cc1nnc(-c2ccc(CC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CNC(=O)CNC(=O)CN)cc2)nn1.

What is the InChIKey of N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]acetamide?

The InChIKey is ZMNZSFQJTXPKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H69N9O15/c1-34-47-49-41(50-48-34)36-4-2-35(3-5-36)30-37(51)43-6-8-55-10-12-57-14-16-59-18-20-61-22-24-63-26-28-65-29-27-64-25-23-62-21-19-60-17-15-58-13-11-56-9-7-44-39(53)32-46-40(54)33-45-38(52)31-42/h2-5H,6-33,42H2,1H3,(H,43,51)(H,44,53)(H,45,52)(H,46,54).

What are the key properties of N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]acetamide?

N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]acetamide has a molecular weight of 928.05 g/mol, XLogP of -2.61, 44 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-[4-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]acetamide is sourced from PubChem (CID 172653535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).