N-(2-aminoethyl)-N-[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-decylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-2-[3-[4-(3-aminopropyl)piperazin-1-yl]propylamino]acetamide

C84H149N13O8 — CID 157274894

About N-(2-aminoethyl)-N-[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-decylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-2-[3-[4-(3-aminopropyl)piperazin-1-yl]propylamino]acetamide

N-(2-aminoethyl)-N-[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-decylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-2-[3-[4-(3-aminopropyl)piperazin-1-yl]propylamino]acetamide (PubChem CID 157274894) has the molecular formula C84H149N13O8 and a molecular weight of 1469.20 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-decylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-2-[3-[4-(3-aminopropyl)piperazin-1-yl]propylamino]acetamide.

Molecular Properties

• Compound Name: N-(2-aminoethyl)-N-[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-decylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-2-[3-[4-(3-aminopropyl)piperazin-1-yl]propylamino]acetamide
• PubChem CID: 157274894
• Molecular Formula: C84H149N13O8
• Molecular Weight: 1469.20 g/mol
• Exact Mass: 1468.17
• IUPAC Name: N-(2-aminoethyl)-N-[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-decylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-2-[3-[4-(3-aminopropyl)piperazin-1-yl]propylamino]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)CNCCCN1CCN(CCCN)CC1
• InChI: InChI=1S/C84H149N13O8/c1-5-9-13-17-21-25-29-39-56-91(68-77(87)98)79(100)69-92(57-40-30-26-22-18-14-10-6-2)80(101)70-93(58-41-31-27-23-19-15-11-7-3)81(102)71-94(59-42-32-28-24-20-16-12-8-4)82(103)72-95(60-49-75-45-35-33-36-46-75)83(104)73-96(61-50-76-47-37-34-38-48-76)84(105)74-97(62-52-86)78(99)67-88-53-44-55-90-65-63-89(64-66-90)54-43-51-85/h33-38,45-48,88H,5-32,39-44,49-74,85-86H2,1-4H3,(H2,87,98)
• InChIKey: AYZBOVUFMUPKKT-UHFFFAOYSA-N
• XLogP: 11.22
• TPSA: 255.81 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 67
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1469.20
LogP ≤ 5	11.22
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-decylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-2-[3-[4-(3-aminopropyl)piperazin-1-yl]propylamino]acetamide?

The IUPAC name of N-(2-aminoethyl)-N-[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-decylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-2-[3-[4-(3-aminopropyl)piperazin-1-yl]propylamino]acetamide (CID 157274894) is N-(2-aminoethyl)-N-[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-decylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-2-[3-[4-(3-aminopropyl)piperazin-1-yl]propylamino]acetamide.

What is the SMILES notation for N-(2-aminoethyl)-N-[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-decylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-2-[3-[4-(3-aminopropyl)piperazin-1-yl]propylamino]acetamide?

The canonical SMILES for N-(2-aminoethyl)-N-[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-decylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-2-[3-[4-(3-aminopropyl)piperazin-1-yl]propylamino]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)CNCCCN1CCN(CCCN)CC1.

What is the InChIKey of N-(2-aminoethyl)-N-[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-decylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-2-[3-[4-(3-aminopropyl)piperazin-1-yl]propylamino]acetamide?

The InChIKey is AYZBOVUFMUPKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H149N13O8/c1-5-9-13-17-21-25-29-39-56-91(68-77(87)98)79(100)69-92(57-40-30-26-22-18-14-10-6-2)80(101)70-93(58-41-31-27-23-19-15-11-7-3)81(102)71-94(59-42-32-28-24-20-16-12-8-4)82(103)72-95(60-49-75-45-35-33-36-46-75)83(104)73-96(61-50-76-47-37-34-38-48-76)84(105)74-97(62-52-86)78(99)67-88-53-44-55-90-65-63-89(64-66-90)54-43-51-85/h33-38,45-48,88H,5-32,39-44,49-74,85-86H2,1-4H3,(H2,87,98).

What are the key properties of N-(2-aminoethyl)-N-[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-decylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-2-[3-[4-(3-aminopropyl)piperazin-1-yl]propylamino]acetamide?

N-(2-aminoethyl)-N-[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-decylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-2-[3-[4-(3-aminopropyl)piperazin-1-yl]propylamino]acetamide has a molecular weight of 1469.20 g/mol, XLogP of 11.22, 67 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-aminoethyl)-N-[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-decylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-2-[3-[4-(3-aminopropyl)piperazin-1-yl]propylamino]acetamide is sourced from PubChem (CID 157274894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).