2-[[2-[[2-[[2-[[2-[[2-[[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-[2-[bis[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

C107H179N17O11 — CID 166794644

About 2-[[2-[[2-[[2-[[2-[[2-[[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-[2-[bis[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-[bis[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 166794644) has the molecular formula C107H179N17O11 and a molecular weight of 1879.72 g/mol. Its IUPAC name is 2-[[2-[[2-[[2-[[2-[[2-[[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-[2-[bis[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-[bis[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: 166794644
• Molecular Formula: C107H179N17O11
• Molecular Weight: 1879.72 g/mol
• Exact Mass: 1878.40
• IUPAC Name: 2-[[2-[[2-[[2-[[2-[[2-[[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-[2-[bis[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(CCNC)CCNC
• InChI: InChI=1S/C107H179N17O11/c1-8-12-16-20-24-28-32-48-68-115(82-97(110)125)99(127)84-116(69-49-33-29-25-21-17-13-9-2)100(128)85-117(70-50-34-30-26-22-18-14-10-3)101(129)86-118(71-51-35-31-27-23-19-15-11-4)102(130)87-119(72-60-93-52-40-36-41-53-93)103(131)88-121(74-62-95-56-44-38-45-57-95)106(134)92-124(77-65-109)107(135)90-122(75-63-96-58-46-39-47-59-96)104(132)89-120(73-61-94-54-42-37-43-55-94)105(133)91-123(76-64-108)98(126)83-113(7)80-81-114(78-66-111-5)79-67-112-6/h36-47,52-59,111-112H,8-35,48-51,60-92,108-109H2,1-7H3,(H2,110,125)
• InChIKey: LZCGEEPFOHWCGN-UHFFFAOYSA-N
• XLogP: 11.88
• TPSA: 328.77 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 83
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1879.72
LogP ≤ 5	11.88
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

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-[bis[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-[bis[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 166794644) is 2-[[2-[[2-[[2-[[2-[[2-[[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-[2-[bis[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-[bis[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-[bis[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(CCNC)CCNC.

What is the InChIKey of 2-[[2-[[2-[[2-[[2-[[2-[[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-[2-[bis[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 LZCGEEPFOHWCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C107H179N17O11/c1-8-12-16-20-24-28-32-48-68-115(82-97(110)125)99(127)84-116(69-49-33-29-25-21-17-13-9-2)100(128)85-117(70-50-34-30-26-22-18-14-10-3)101(129)86-118(71-51-35-31-27-23-19-15-11-4)102(130)87-119(72-60-93-52-40-36-41-53-93)103(131)88-121(74-62-95-56-44-38-45-57-95)106(134)92-124(77-65-109)107(135)90-122(75-63-96-58-46-39-47-59-96)104(132)89-120(73-61-94-54-42-37-43-55-94)105(133)91-123(76-64-108)98(126)83-113(7)80-81-114(78-66-111-5)79-67-112-6/h36-47,52-59,111-112H,8-35,48-51,60-92,108-109H2,1-7H3,(H2,110,125).

What are the key properties of 2-[[2-[[2-[[2-[[2-[[2-[[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-[2-[bis[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-[bis[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 1879.72 g/mol, XLogP of 11.88, 83 rotatable bonds, 5 hydrogen bond donors, and 17 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-[bis[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 166794644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).