2-(3-aminopropylamino)-N-[2-[2-(1H-indol-3-yl)ethyl-[2-[[2-[2-(1H-indol-3-yl)ethyl-[2-[[2-[2-(1H-indol-3-yl)ethyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]amino]-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]-N-(pyridin-3-ylmethyl)acetamide

C60H77N13O7 — CID 162106646

About 2-(3-aminopropylamino)-N-[2-[2-(1H-indol-3-yl)ethyl-[2-[[2-[2-(1H-indol-3-yl)ethyl-[2-[[2-[2-(1H-indol-3-yl)ethyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]amino]-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]-N-(pyridin-3-ylmethyl)acetamide

2-(3-aminopropylamino)-N-[2-[2-(1H-indol-3-yl)ethyl-[2-[[2-[2-(1H-indol-3-yl)ethyl-[2-[[2-[2-(1H-indol-3-yl)ethyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]amino]-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 162106646) has the molecular formula C60H77N13O7 and a molecular weight of 1092.36 g/mol. Its IUPAC name is 2-(3-aminopropylamino)-N-[2-[2-(1H-indol-3-yl)ethyl-[2-[[2-[2-(1H-indol-3-yl)ethyl-[2-[[2-[2-(1H-indol-3-yl)ethyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]amino]-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

• Compound Name: 2-(3-aminopropylamino)-N-[2-[2-(1H-indol-3-yl)ethyl-[2-[[2-[2-(1H-indol-3-yl)ethyl-[2-[[2-[2-(1H-indol-3-yl)ethyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]amino]-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]-N-(pyridin-3-ylmethyl)acetamide
• PubChem CID: 162106646
• Molecular Formula: C60H77N13O7
• Molecular Weight: 1092.36 g/mol
• Exact Mass: 1091.61
• IUPAC Name: 2-(3-aminopropylamino)-N-[2-[2-(1H-indol-3-yl)ethyl-[2-[[2-[2-(1H-indol-3-yl)ethyl-[2-[[2-[2-(1H-indol-3-yl)ethyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]amino]-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]-N-(pyridin-3-ylmethyl)acetamide
• SMILES: CCCNC(=O)CN(CCc1c[nH]c2ccccc12)C(=O)CN(CCC)C(=O)CN(CCc1c[nH]c2ccccc12)C(=O)CN(C)C(=O)CN(CCc1c[nH]c2ccccc12)C(=O)CN(Cc1cccnc1)C(=O)CNCCCN
• InChI: InChI=1S/C60H77N13O7/c1-4-25-64-54(74)38-70(29-21-45-33-65-51-18-9-6-15-48(45)51)59(79)41-69(28-5-2)58(78)42-72(31-23-47-35-67-53-20-11-8-17-50(47)53)57(77)39-68(3)56(76)40-71(30-22-46-34-66-52-19-10-7-16-49(46)52)60(80)43-73(37-44-14-12-26-62-32-44)55(75)36-63-27-13-24-61/h6-12,14-20,26,32-35,63,65-67H,4-5,13,21-25,27-31,36-43,61H2,1-3H3,(H,64,74)
• InChIKey: OGZLAFBPRJWIMY-UHFFFAOYSA-N
• XLogP: 4.23
• TPSA: 249.27 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 32
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1092.36
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropylamino)-N-[2-[2-(1H-indol-3-yl)ethyl-[2-[[2-[2-(1H-indol-3-yl)ethyl-[2-[[2-[2-(1H-indol-3-yl)ethyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]amino]-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]-N-(pyridin-3-ylmethyl)acetamide?

The IUPAC name of 2-(3-aminopropylamino)-N-[2-[2-(1H-indol-3-yl)ethyl-[2-[[2-[2-(1H-indol-3-yl)ethyl-[2-[[2-[2-(1H-indol-3-yl)ethyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]amino]-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]-N-(pyridin-3-ylmethyl)acetamide (CID 162106646) is 2-(3-aminopropylamino)-N-[2-[2-(1H-indol-3-yl)ethyl-[2-[[2-[2-(1H-indol-3-yl)ethyl-[2-[[2-[2-(1H-indol-3-yl)ethyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]amino]-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]-N-(pyridin-3-ylmethyl)acetamide.

What is the SMILES notation for 2-(3-aminopropylamino)-N-[2-[2-(1H-indol-3-yl)ethyl-[2-[[2-[2-(1H-indol-3-yl)ethyl-[2-[[2-[2-(1H-indol-3-yl)ethyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]amino]-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]-N-(pyridin-3-ylmethyl)acetamide?

The canonical SMILES for 2-(3-aminopropylamino)-N-[2-[2-(1H-indol-3-yl)ethyl-[2-[[2-[2-(1H-indol-3-yl)ethyl-[2-[[2-[2-(1H-indol-3-yl)ethyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]amino]-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]-N-(pyridin-3-ylmethyl)acetamide is CCCNC(=O)CN(CCc1c[nH]c2ccccc12)C(=O)CN(CCC)C(=O)CN(CCc1c[nH]c2ccccc12)C(=O)CN(C)C(=O)CN(CCc1c[nH]c2ccccc12)C(=O)CN(Cc1cccnc1)C(=O)CNCCCN.

What is the InChIKey of 2-(3-aminopropylamino)-N-[2-[2-(1H-indol-3-yl)ethyl-[2-[[2-[2-(1H-indol-3-yl)ethyl-[2-[[2-[2-(1H-indol-3-yl)ethyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]amino]-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]-N-(pyridin-3-ylmethyl)acetamide?

The InChIKey is OGZLAFBPRJWIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H77N13O7/c1-4-25-64-54(74)38-70(29-21-45-33-65-51-18-9-6-15-48(45)51)59(79)41-69(28-5-2)58(78)42-72(31-23-47-35-67-53-20-11-8-17-50(47)53)57(77)39-68(3)56(76)40-71(30-22-46-34-66-52-19-10-7-16-49(46)52)60(80)43-73(37-44-14-12-26-62-32-44)55(75)36-63-27-13-24-61/h6-12,14-20,26,32-35,63,65-67H,4-5,13,21-25,27-31,36-43,61H2,1-3H3,(H,64,74).

What are the key properties of 2-(3-aminopropylamino)-N-[2-[2-(1H-indol-3-yl)ethyl-[2-[[2-[2-(1H-indol-3-yl)ethyl-[2-[[2-[2-(1H-indol-3-yl)ethyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]amino]-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]-N-(pyridin-3-ylmethyl)acetamide?

2-(3-aminopropylamino)-N-[2-[2-(1H-indol-3-yl)ethyl-[2-[[2-[2-(1H-indol-3-yl)ethyl-[2-[[2-[2-(1H-indol-3-yl)ethyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]amino]-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 1092.36 g/mol, XLogP of 4.23, 32 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-aminopropylamino)-N-[2-[2-(1H-indol-3-yl)ethyl-[2-[[2-[2-(1H-indol-3-yl)ethyl-[2-[[2-[2-(1H-indol-3-yl)ethyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]amino]-2-oxoethyl]-methylamino]-2-oxoethyl]amino]-2-oxoethyl]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 162106646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).