N-[3-[3-[3-[3-[bis[3-[bis[3-[[2-(2-methoxyethoxy)acetyl]amino]propyl]amino]propyl]amino]propyl-methylamino]propyl-methylamino]propyl-[3-[[1-hydroxy-2-(2-methoxyethoxy)ethyl]amino]propyl]amino]propyl]-2-(2-methoxyethoxy)acetamide

C65H134N12O18 — CID 88983433

About N-[3-[3-[3-[3-[bis[3-[bis[3-[[2-(2-methoxyethoxy)acetyl]amino]propyl]amino]propyl]amino]propyl-methylamino]propyl-methylamino]propyl-[3-[[1-hydroxy-2-(2-methoxyethoxy)ethyl]amino]propyl]amino]propyl]-2-(2-methoxyethoxy)acetamide

N-[3-[3-[3-[3-[bis[3-[bis[3-[[2-(2-methoxyethoxy)acetyl]amino]propyl]amino]propyl]amino]propyl-methylamino]propyl-methylamino]propyl-[3-[[1-hydroxy-2-(2-methoxyethoxy)ethyl]amino]propyl]amino]propyl]-2-(2-methoxyethoxy)acetamide (PubChem CID 88983433) has the molecular formula C65H134N12O18 and a molecular weight of 1371.85 g/mol. Its IUPAC name is N-[3-[3-[3-[3-[bis[3-[bis[3-[[2-(2-methoxyethoxy)acetyl]amino]propyl]amino]propyl]amino]propyl-methylamino]propyl-methylamino]propyl-[3-[[1-hydroxy-2-(2-methoxyethoxy)ethyl]amino]propyl]amino]propyl]-2-(2-methoxyethoxy)acetamide.

Molecular Properties

• Compound Name: N-[3-[3-[3-[3-[bis[3-[bis[3-[[2-(2-methoxyethoxy)acetyl]amino]propyl]amino]propyl]amino]propyl-methylamino]propyl-methylamino]propyl-[3-[[1-hydroxy-2-(2-methoxyethoxy)ethyl]amino]propyl]amino]propyl]-2-(2-methoxyethoxy)acetamide
• PubChem CID: 88983433
• Molecular Formula: C65H134N12O18
• Molecular Weight: 1371.85 g/mol
• Exact Mass: 1370.99
• IUPAC Name: N-[3-[3-[3-[3-[bis[3-[bis[3-[[2-(2-methoxyethoxy)acetyl]amino]propyl]amino]propyl]amino]propyl-methylamino]propyl-methylamino]propyl-[3-[[1-hydroxy-2-(2-methoxyethoxy)ethyl]amino]propyl]amino]propyl]-2-(2-methoxyethoxy)acetamide
• SMILES: COCCOCC(=O)NCCCN(CCCNC(O)COCCOC)CCCN(C)CCCN(C)CCCN(CCCN(CCCNC(=O)COCCOC)CCCNC(=O)COCCOC)CCCN(CCCNC(=O)COCCOC)CCCNC(=O)COCCOC
• InChI: InChI=1S/C65H134N12O18/c1-72(28-16-36-74(30-9-20-66-60(78)54-90-48-42-84-3)31-10-21-67-61(79)55-91-49-43-85-4)26-15-27-73(2)29-17-37-77(40-18-38-75(32-11-22-68-62(80)56-92-50-44-86-5)33-12-23-69-63(81)57-93-51-45-87-6)41-19-39-76(34-13-24-70-64(82)58-94-52-46-88-7)35-14-25-71-65(83)59-95-53-47-89-8/h60,66,78H,9-59H2,1-8H3,(H,67,79)(H,68,80)(H,69,81)(H,70,82)(H,71,83)
• InChIKey: KHQMOTRMCKMIIW-UHFFFAOYSA-N
• XLogP: -1.18
• TPSA: 307.96 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 25
• Rotatable Bonds: 75
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1371.85
LogP ≤ 5	-1.18
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[3-[3-[bis[3-[bis[3-[[2-(2-methoxyethoxy)acetyl]amino]propyl]amino]propyl]amino]propyl-methylamino]propyl-methylamino]propyl-[3-[[1-hydroxy-2-(2-methoxyethoxy)ethyl]amino]propyl]amino]propyl]-2-(2-methoxyethoxy)acetamide?

The IUPAC name of N-[3-[3-[3-[3-[bis[3-[bis[3-[[2-(2-methoxyethoxy)acetyl]amino]propyl]amino]propyl]amino]propyl-methylamino]propyl-methylamino]propyl-[3-[[1-hydroxy-2-(2-methoxyethoxy)ethyl]amino]propyl]amino]propyl]-2-(2-methoxyethoxy)acetamide (CID 88983433) is N-[3-[3-[3-[3-[bis[3-[bis[3-[[2-(2-methoxyethoxy)acetyl]amino]propyl]amino]propyl]amino]propyl-methylamino]propyl-methylamino]propyl-[3-[[1-hydroxy-2-(2-methoxyethoxy)ethyl]amino]propyl]amino]propyl]-2-(2-methoxyethoxy)acetamide.

What is the SMILES notation for N-[3-[3-[3-[3-[bis[3-[bis[3-[[2-(2-methoxyethoxy)acetyl]amino]propyl]amino]propyl]amino]propyl-methylamino]propyl-methylamino]propyl-[3-[[1-hydroxy-2-(2-methoxyethoxy)ethyl]amino]propyl]amino]propyl]-2-(2-methoxyethoxy)acetamide?

The canonical SMILES for N-[3-[3-[3-[3-[bis[3-[bis[3-[[2-(2-methoxyethoxy)acetyl]amino]propyl]amino]propyl]amino]propyl-methylamino]propyl-methylamino]propyl-[3-[[1-hydroxy-2-(2-methoxyethoxy)ethyl]amino]propyl]amino]propyl]-2-(2-methoxyethoxy)acetamide is COCCOCC(=O)NCCCN(CCCNC(O)COCCOC)CCCN(C)CCCN(C)CCCN(CCCN(CCCNC(=O)COCCOC)CCCNC(=O)COCCOC)CCCN(CCCNC(=O)COCCOC)CCCNC(=O)COCCOC.

What is the InChIKey of N-[3-[3-[3-[3-[bis[3-[bis[3-[[2-(2-methoxyethoxy)acetyl]amino]propyl]amino]propyl]amino]propyl-methylamino]propyl-methylamino]propyl-[3-[[1-hydroxy-2-(2-methoxyethoxy)ethyl]amino]propyl]amino]propyl]-2-(2-methoxyethoxy)acetamide?

The InChIKey is KHQMOTRMCKMIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H134N12O18/c1-72(28-16-36-74(30-9-20-66-60(78)54-90-48-42-84-3)31-10-21-67-61(79)55-91-49-43-85-4)26-15-27-73(2)29-17-37-77(40-18-38-75(32-11-22-68-62(80)56-92-50-44-86-5)33-12-23-69-63(81)57-93-51-45-87-6)41-19-39-76(34-13-24-70-64(82)58-94-52-46-88-7)35-14-25-71-65(83)59-95-53-47-89-8/h60,66,78H,9-59H2,1-8H3,(H,67,79)(H,68,80)(H,69,81)(H,70,82)(H,71,83).

What are the key properties of N-[3-[3-[3-[3-[bis[3-[bis[3-[[2-(2-methoxyethoxy)acetyl]amino]propyl]amino]propyl]amino]propyl-methylamino]propyl-methylamino]propyl-[3-[[1-hydroxy-2-(2-methoxyethoxy)ethyl]amino]propyl]amino]propyl]-2-(2-methoxyethoxy)acetamide?

N-[3-[3-[3-[3-[bis[3-[bis[3-[[2-(2-methoxyethoxy)acetyl]amino]propyl]amino]propyl]amino]propyl-methylamino]propyl-methylamino]propyl-[3-[[1-hydroxy-2-(2-methoxyethoxy)ethyl]amino]propyl]amino]propyl]-2-(2-methoxyethoxy)acetamide has a molecular weight of 1371.85 g/mol, XLogP of -1.18, 75 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-[3-[3-[bis[3-[bis[3-[[2-(2-methoxyethoxy)acetyl]amino]propyl]amino]propyl]amino]propyl-methylamino]propyl-methylamino]propyl-[3-[[1-hydroxy-2-(2-methoxyethoxy)ethyl]amino]propyl]amino]propyl]-2-(2-methoxyethoxy)acetamide is sourced from PubChem (CID 88983433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).