2-[[2-[[2-[[2-[[2-[[2-[[2-[acetyl-[[1-[[4-[4-[tert-butyl-(2-methyl-1-phenylpropyl)amino]oxy-4-phenylbutan-2-yl]phenyl]methyl]triazol-4-yl]methyl]amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetamide

C68H104N12O15 — CID 102291202

About 2-[[2-[[2-[[2-[[2-[[2-[[2-[acetyl-[[1-[[4-[4-[tert-butyl-(2-methyl-1-phenylpropyl)amino]oxy-4-phenylbutan-2-yl]phenyl]methyl]triazol-4-yl]methyl]amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetamide

2-[[2-[[2-[[2-[[2-[[2-[[2-[acetyl-[[1-[[4-[4-[tert-butyl-(2-methyl-1-phenylpropyl)amino]oxy-4-phenylbutan-2-yl]phenyl]methyl]triazol-4-yl]methyl]amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetamide (PubChem CID 102291202) has the molecular formula C68H104N12O15 and a molecular weight of 1329.65 g/mol. Its IUPAC name is 2-[[2-[[2-[[2-[[2-[[2-[[2-[acetyl-[[1-[[4-[4-[tert-butyl-(2-methyl-1-phenylpropyl)amino]oxy-4-phenylbutan-2-yl]phenyl]methyl]triazol-4-yl]methyl]amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetamide.

Molecular Properties

• Compound Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-[acetyl-[[1-[[4-[4-[tert-butyl-(2-methyl-1-phenylpropyl)amino]oxy-4-phenylbutan-2-yl]phenyl]methyl]triazol-4-yl]methyl]amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetamide
• PubChem CID: 102291202
• Molecular Formula: C68H104N12O15
• Molecular Weight: 1329.65 g/mol
• Exact Mass: 1328.77
• IUPAC Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-[acetyl-[[1-[[4-[4-[tert-butyl-(2-methyl-1-phenylpropyl)amino]oxy-4-phenylbutan-2-yl]phenyl]methyl]triazol-4-yl]methyl]amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetamide
• SMILES: COCCN(CC(N)=O)C(=O)CN(CCOC)C(=O)CN(CCOC)C(=O)CN(CCOC)C(=O)CN(CCOC)C(=O)CN(CCOC)C(=O)CN(Cc1cn(Cc2ccc(C(C)CC(ON(C(c3ccccc3)C(C)C)C(C)(C)C)c3ccccc3)cc2)nn1)C(C)=O
• InChI: InChI=1S/C68H104N12O15/c1-51(2)67(57-22-18-15-19-23-57)80(68(5,6)7)95-59(56-20-16-14-17-21-56)40-52(3)55-26-24-54(25-27-55)41-79-43-58(70-71-79)42-78(53(4)81)50-66(88)77(33-39-94-13)49-65(87)76(32-38-93-12)48-64(86)75(31-37-92-11)47-63(85)74(30-36-91-10)46-62(84)73(29-35-90-9)45-61(83)72(28-34-89-8)44-60(69)82/h14-27,43,51-52,59,67H,28-42,44-50H2,1-13H3,(H2,69,82)
• InChIKey: GSDFQAXBOPFEEZ-UHFFFAOYSA-N
• XLogP: 3.67
• TPSA: 283.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 45
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1329.65
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-[[2-[[2-[[2-[[2-[acetyl-[[1-[[4-[4-[tert-butyl-(2-methyl-1-phenylpropyl)amino]oxy-4-phenylbutan-2-yl]phenyl]methyl]triazol-4-yl]methyl]amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetamide?

The IUPAC name of 2-[[2-[[2-[[2-[[2-[[2-[[2-[acetyl-[[1-[[4-[4-[tert-butyl-(2-methyl-1-phenylpropyl)amino]oxy-4-phenylbutan-2-yl]phenyl]methyl]triazol-4-yl]methyl]amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetamide (CID 102291202) is 2-[[2-[[2-[[2-[[2-[[2-[[2-[acetyl-[[1-[[4-[4-[tert-butyl-(2-methyl-1-phenylpropyl)amino]oxy-4-phenylbutan-2-yl]phenyl]methyl]triazol-4-yl]methyl]amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetamide.

What is the SMILES notation for 2-[[2-[[2-[[2-[[2-[[2-[[2-[acetyl-[[1-[[4-[4-[tert-butyl-(2-methyl-1-phenylpropyl)amino]oxy-4-phenylbutan-2-yl]phenyl]methyl]triazol-4-yl]methyl]amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetamide?

The canonical SMILES for 2-[[2-[[2-[[2-[[2-[[2-[[2-[acetyl-[[1-[[4-[4-[tert-butyl-(2-methyl-1-phenylpropyl)amino]oxy-4-phenylbutan-2-yl]phenyl]methyl]triazol-4-yl]methyl]amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetamide is COCCN(CC(N)=O)C(=O)CN(CCOC)C(=O)CN(CCOC)C(=O)CN(CCOC)C(=O)CN(CCOC)C(=O)CN(CCOC)C(=O)CN(Cc1cn(Cc2ccc(C(C)CC(ON(C(c3ccccc3)C(C)C)C(C)(C)C)c3ccccc3)cc2)nn1)C(C)=O.

What is the InChIKey of 2-[[2-[[2-[[2-[[2-[[2-[[2-[acetyl-[[1-[[4-[4-[tert-butyl-(2-methyl-1-phenylpropyl)amino]oxy-4-phenylbutan-2-yl]phenyl]methyl]triazol-4-yl]methyl]amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetamide?

The InChIKey is GSDFQAXBOPFEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H104N12O15/c1-51(2)67(57-22-18-15-19-23-57)80(68(5,6)7)95-59(56-20-16-14-17-21-56)40-52(3)55-26-24-54(25-27-55)41-79-43-58(70-71-79)42-78(53(4)81)50-66(88)77(33-39-94-13)49-65(87)76(32-38-93-12)48-64(86)75(31-37-92-11)47-63(85)74(30-36-91-10)46-62(84)73(29-35-90-9)45-61(83)72(28-34-89-8)44-60(69)82/h14-27,43,51-52,59,67H,28-42,44-50H2,1-13H3,(H2,69,82).

What are the key properties of 2-[[2-[[2-[[2-[[2-[[2-[[2-[acetyl-[[1-[[4-[4-[tert-butyl-(2-methyl-1-phenylpropyl)amino]oxy-4-phenylbutan-2-yl]phenyl]methyl]triazol-4-yl]methyl]amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetamide?

2-[[2-[[2-[[2-[[2-[[2-[[2-[acetyl-[[1-[[4-[4-[tert-butyl-(2-methyl-1-phenylpropyl)amino]oxy-4-phenylbutan-2-yl]phenyl]methyl]triazol-4-yl]methyl]amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetamide has a molecular weight of 1329.65 g/mol, XLogP of 3.67, 45 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[[2-[[2-[[2-[[2-[[2-[acetyl-[[1-[[4-[4-[tert-butyl-(2-methyl-1-phenylpropyl)amino]oxy-4-phenylbutan-2-yl]phenyl]methyl]triazol-4-yl]methyl]amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetyl]-(2-methoxyethyl)amino]acetamide is sourced from PubChem (CID 102291202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).