2-[[2-[[2-[[2-[[2-[[2-[[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-[2-[butyl-[2-(methylamino)ethyl]amino]ethyl-methylamino]acetyl]amino]acetyl]-(2-phenylethyl)amino]acetyl]-(2-phenylethyl)amino]acetyl]amino]acetyl]-(2-phenylethyl)amino]acetyl]-(2-phenylethyl)amino]acetyl]-decylamino]acetyl]-decylamino]acetyl]-decylamino]acetyl]-decylamino]acetamide

C108H180N16O11 — CID 159115954

About 2-[[2-[[2-[[2-[[2-[[2-[[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-[2-[butyl-[2-(methylamino)ethyl]amino]ethyl-methylamino]acetyl]amino]acetyl]-(2-phenylethyl)amino]acetyl]-(2-phenylethyl)amino]acetyl]amino]acetyl]-(2-phenylethyl)amino]acetyl]-(2-phenylethyl)amino]acetyl]-decylamino]acetyl]-decylamino]acetyl]-decylamino]acetyl]-decylamino]acetamide

2-[[2-[[2-[[2-[[2-[[2-[[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-[2-[butyl-[2-(methylamino)ethyl]amino]ethyl-methylamino]acetyl]amino]acetyl]-(2-phenylethyl)amino]acetyl]-(2-phenylethyl)amino]acetyl]amino]acetyl]-(2-phenylethyl)amino]acetyl]-(2-phenylethyl)amino]acetyl]-decylamino]acetyl]-decylamino]acetyl]-decylamino]acetyl]-decylamino]acetamide (PubChem CID 159115954) has the molecular formula C108H180N16O11 and a molecular weight of 1878.73 g/mol. Its IUPAC name is 2-[[2-[[2-[[2-[[2-[[2-[[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-[2-[butyl-[2-(methylamino)ethyl]amino]ethyl-methylamino]acetyl]amino]acetyl]-(2-phenylethyl)amino]acetyl]-(2-phenylethyl)amino]acetyl]amino]acetyl]-(2-phenylethyl)amino]acetyl]-(2-phenylethyl)amino]acetyl]-decylamino]acetyl]-decylamino]acetyl]-decylamino]acetyl]-decylamino]acetamide.

Molecular Properties

• Compound Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-[2-[butyl-[2-(methylamino)ethyl]amino]ethyl-methylamino]acetyl]amino]acetyl]-(2-phenylethyl)amino]acetyl]-(2-phenylethyl)amino]acetyl]amino]acetyl]-(2-phenylethyl)amino]acetyl]-(2-phenylethyl)amino]acetyl]-decylamino]acetyl]-decylamino]acetyl]-decylamino]acetyl]-decylamino]acetamide
• PubChem CID: 159115954
• Molecular Formula: C108H180N16O11
• Molecular Weight: 1878.73 g/mol
• Exact Mass: 1877.40
• IUPAC Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-[2-[butyl-[2-(methylamino)ethyl]amino]ethyl-methylamino]acetyl]amino]acetyl]-(2-phenylethyl)amino]acetyl]-(2-phenylethyl)amino]acetyl]amino]acetyl]-(2-phenylethyl)amino]acetyl]-(2-phenylethyl)amino]acetyl]-decylamino]acetyl]-decylamino]acetyl]-decylamino]acetyl]-decylamino]acetamide
• SMILES: CCCCCCCCCCN(CC(N)=O)C(=O)CN(CCCCCCCCCC)C(=O)CN(CCCCCCCCCC)C(=O)CN(CCCCCCCCCC)C(=O)CN(CCc1ccccc1)C(=O)CN(CCc1ccccc1)C(=O)CN(CCN)C(=O)CN(CCc1ccccc1)C(=O)CN(CCc1ccccc1)C(=O)CN(CCN)C(=O)CN(C)CCN(CCCC)CCNC
• InChI: InChI=1S/C108H180N16O11/c1-8-13-18-22-26-30-34-50-70-115(83-98(111)125)100(127)85-116(71-51-35-31-27-23-19-14-9-2)101(128)86-117(72-52-36-32-28-24-20-15-10-3)102(129)87-118(73-53-37-33-29-25-21-16-11-4)103(130)88-119(74-62-94-54-42-38-43-55-94)104(131)89-121(76-64-96-58-46-40-47-59-96)107(134)93-124(79-67-110)108(135)91-122(77-65-97-60-48-41-49-61-97)105(132)90-120(75-63-95-56-44-39-45-57-95)106(133)92-123(78-66-109)99(126)84-113(7)81-82-114(69-17-12-5)80-68-112-6/h38-49,54-61,112H,8-37,50-53,62-93,109-110H2,1-7H3,(H2,111,125)
• InChIKey: KFBVTANQRFGHLF-UHFFFAOYSA-N
• XLogP: 13.46
• TPSA: 316.74 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 83
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1878.73
LogP ≤ 5	13.46
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-[[2-[[2-[[2-[[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-[2-[butyl-[2-(methylamino)ethyl]amino]ethyl-methylamino]acetyl]amino]acetyl]-(2-phenylethyl)amino]acetyl]-(2-phenylethyl)amino]acetyl]amino]acetyl]-(2-phenylethyl)amino]acetyl]-(2-phenylethyl)amino]acetyl]-decylamino]acetyl]-decylamino]acetyl]-decylamino]acetyl]-decylamino]acetamide?

The IUPAC name of 2-[[2-[[2-[[2-[[2-[[2-[[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-[2-[butyl-[2-(methylamino)ethyl]amino]ethyl-methylamino]acetyl]amino]acetyl]-(2-phenylethyl)amino]acetyl]-(2-phenylethyl)amino]acetyl]amino]acetyl]-(2-phenylethyl)amino]acetyl]-(2-phenylethyl)amino]acetyl]-decylamino]acetyl]-decylamino]acetyl]-decylamino]acetyl]-decylamino]acetamide (CID 159115954) is 2-[[2-[[2-[[2-[[2-[[2-[[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-[2-[butyl-[2-(methylamino)ethyl]amino]ethyl-methylamino]acetyl]amino]acetyl]-(2-phenylethyl)amino]acetyl]-(2-phenylethyl)amino]acetyl]amino]acetyl]-(2-phenylethyl)amino]acetyl]-(2-phenylethyl)amino]acetyl]-decylamino]acetyl]-decylamino]acetyl]-decylamino]acetyl]-decylamino]acetamide.

What is the SMILES notation for 2-[[2-[[2-[[2-[[2-[[2-[[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-[2-[butyl-[2-(methylamino)ethyl]amino]ethyl-methylamino]acetyl]amino]acetyl]-(2-phenylethyl)amino]acetyl]-(2-phenylethyl)amino]acetyl]amino]acetyl]-(2-phenylethyl)amino]acetyl]-(2-phenylethyl)amino]acetyl]-decylamino]acetyl]-decylamino]acetyl]-decylamino]acetyl]-decylamino]acetamide?

The canonical SMILES for 2-[[2-[[2-[[2-[[2-[[2-[[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-[2-[butyl-[2-(methylamino)ethyl]amino]ethyl-methylamino]acetyl]amino]acetyl]-(2-phenylethyl)amino]acetyl]-(2-phenylethyl)amino]acetyl]amino]acetyl]-(2-phenylethyl)amino]acetyl]-(2-phenylethyl)amino]acetyl]-decylamino]acetyl]-decylamino]acetyl]-decylamino]acetyl]-decylamino]acetamide is CCCCCCCCCCN(CC(N)=O)C(=O)CN(CCCCCCCCCC)C(=O)CN(CCCCCCCCCC)C(=O)CN(CCCCCCCCCC)C(=O)CN(CCc1ccccc1)C(=O)CN(CCc1ccccc1)C(=O)CN(CCN)C(=O)CN(CCc1ccccc1)C(=O)CN(CCc1ccccc1)C(=O)CN(CCN)C(=O)CN(C)CCN(CCCC)CCNC.

What is the InChIKey of 2-[[2-[[2-[[2-[[2-[[2-[[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-[2-[butyl-[2-(methylamino)ethyl]amino]ethyl-methylamino]acetyl]amino]acetyl]-(2-phenylethyl)amino]acetyl]-(2-phenylethyl)amino]acetyl]amino]acetyl]-(2-phenylethyl)amino]acetyl]-(2-phenylethyl)amino]acetyl]-decylamino]acetyl]-decylamino]acetyl]-decylamino]acetyl]-decylamino]acetamide?

The InChIKey is KFBVTANQRFGHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C108H180N16O11/c1-8-13-18-22-26-30-34-50-70-115(83-98(111)125)100(127)85-116(71-51-35-31-27-23-19-14-9-2)101(128)86-117(72-52-36-32-28-24-20-15-10-3)102(129)87-118(73-53-37-33-29-25-21-16-11-4)103(130)88-119(74-62-94-54-42-38-43-55-94)104(131)89-121(76-64-96-58-46-40-47-59-96)107(134)93-124(79-67-110)108(135)91-122(77-65-97-60-48-41-49-61-97)105(132)90-120(75-63-95-56-44-39-45-57-95)106(133)92-123(78-66-109)99(126)84-113(7)81-82-114(69-17-12-5)80-68-112-6/h38-49,54-61,112H,8-37,50-53,62-93,109-110H2,1-7H3,(H2,111,125).

What are the key properties of 2-[[2-[[2-[[2-[[2-[[2-[[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-[2-[butyl-[2-(methylamino)ethyl]amino]ethyl-methylamino]acetyl]amino]acetyl]-(2-phenylethyl)amino]acetyl]-(2-phenylethyl)amino]acetyl]amino]acetyl]-(2-phenylethyl)amino]acetyl]-(2-phenylethyl)amino]acetyl]-decylamino]acetyl]-decylamino]acetyl]-decylamino]acetyl]-decylamino]acetamide?

2-[[2-[[2-[[2-[[2-[[2-[[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-[2-[butyl-[2-(methylamino)ethyl]amino]ethyl-methylamino]acetyl]amino]acetyl]-(2-phenylethyl)amino]acetyl]-(2-phenylethyl)amino]acetyl]amino]acetyl]-(2-phenylethyl)amino]acetyl]-(2-phenylethyl)amino]acetyl]-decylamino]acetyl]-decylamino]acetyl]-decylamino]acetyl]-decylamino]acetamide has a molecular weight of 1878.73 g/mol, XLogP of 13.46, 83 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[[2-[[2-[[2-[[2-[[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-[2-[butyl-[2-(methylamino)ethyl]amino]ethyl-methylamino]acetyl]amino]acetyl]-(2-phenylethyl)amino]acetyl]-(2-phenylethyl)amino]acetyl]amino]acetyl]-(2-phenylethyl)amino]acetyl]-(2-phenylethyl)amino]acetyl]-decylamino]acetyl]-decylamino]acetyl]-decylamino]acetyl]-decylamino]acetamide is sourced from PubChem (CID 159115954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).