N-[2-[2-[2-[2-[2-aminoethyl-[2-[2-[2-aminoethyl-[2-(methylamino)ethyl]amino]ethylamino]ethyl]amino]ethyl-[2-[[2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyacetyl]amino]ethyl]amino]ethylamino]ethyl-[2-(methylamino)ethyl]amino]ethyl]-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyacetamide

C44H98N12O6 — CID 123983731

About N-[2-[2-[2-[2-[2-aminoethyl-[2-[2-[2-aminoethyl-[2-(methylamino)ethyl]amino]ethylamino]ethyl]amino]ethyl-[2-[[2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyacetyl]amino]ethyl]amino]ethylamino]ethyl-[2-(methylamino)ethyl]amino]ethyl]-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyacetamide

N-[2-[2-[2-[2-[2-aminoethyl-[2-[2-[2-aminoethyl-[2-(methylamino)ethyl]amino]ethylamino]ethyl]amino]ethyl-[2-[[2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyacetyl]amino]ethyl]amino]ethylamino]ethyl-[2-(methylamino)ethyl]amino]ethyl]-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyacetamide (PubChem CID 123983731) has the molecular formula C44H98N12O6 and a molecular weight of 891.35 g/mol. Its IUPAC name is N-[2-[2-[2-[2-[2-aminoethyl-[2-[2-[2-aminoethyl-[2-(methylamino)ethyl]amino]ethylamino]ethyl]amino]ethyl-[2-[[2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyacetyl]amino]ethyl]amino]ethylamino]ethyl-[2-(methylamino)ethyl]amino]ethyl]-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyacetamide.

Molecular Properties

• Compound Name: N-[2-[2-[2-[2-[2-aminoethyl-[2-[2-[2-aminoethyl-[2-(methylamino)ethyl]amino]ethylamino]ethyl]amino]ethyl-[2-[[2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyacetyl]amino]ethyl]amino]ethylamino]ethyl-[2-(methylamino)ethyl]amino]ethyl]-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyacetamide
• PubChem CID: 123983731
• Molecular Formula: C44H98N12O6
• Molecular Weight: 891.35 g/mol
• Exact Mass: 890.77
• IUPAC Name: N-[2-[2-[2-[2-[2-aminoethyl-[2-[2-[2-aminoethyl-[2-(methylamino)ethyl]amino]ethylamino]ethyl]amino]ethyl-[2-[[2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyacetyl]amino]ethyl]amino]ethylamino]ethyl-[2-(methylamino)ethyl]amino]ethyl]-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyacetamide
• SMILES: CNCCN(CCN)CCNCCN(CCN)CCN(CCNCCN(CCNC)CCNC(=O)COC(C)(C)COC(C)(C)C)CCNC(=O)COC(C)(C)COC(C)(C)C
• InChI: InChI=1S/C44H98N12O6/c1-41(2,3)61-37-43(7,8)59-35-39(57)51-21-31-55(26-16-48-12)29-19-50-20-30-56(32-22-52-40(58)36-60-44(9,10)38-62-42(4,5)6)34-33-54(24-14-46)28-18-49-17-27-53(23-13-45)25-15-47-11/h47-50H,13-38,45-46H2,1-12H3,(H,51,57)(H,52,58)
• InChIKey: CTQOUCMCDGOKKS-UHFFFAOYSA-N
• XLogP: -0.82
• TPSA: 208.24 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 16
• Rotatable Bonds: 41
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	891.35
LogP ≤ 5	-0.82
H-Bond Donors ≤ 5	8
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 N-[2-[2-[2-[2-[2-aminoethyl-[2-[2-[2-aminoethyl-[2-(methylamino)ethyl]amino]ethylamino]ethyl]amino]ethyl-[2-[[2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyacetyl]amino]ethyl]amino]ethylamino]ethyl-[2-(methylamino)ethyl]amino]ethyl]-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyacetamide?

The IUPAC name of N-[2-[2-[2-[2-[2-aminoethyl-[2-[2-[2-aminoethyl-[2-(methylamino)ethyl]amino]ethylamino]ethyl]amino]ethyl-[2-[[2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyacetyl]amino]ethyl]amino]ethylamino]ethyl-[2-(methylamino)ethyl]amino]ethyl]-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyacetamide (CID 123983731) is N-[2-[2-[2-[2-[2-aminoethyl-[2-[2-[2-aminoethyl-[2-(methylamino)ethyl]amino]ethylamino]ethyl]amino]ethyl-[2-[[2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyacetyl]amino]ethyl]amino]ethylamino]ethyl-[2-(methylamino)ethyl]amino]ethyl]-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyacetamide.

What is the SMILES notation for N-[2-[2-[2-[2-[2-aminoethyl-[2-[2-[2-aminoethyl-[2-(methylamino)ethyl]amino]ethylamino]ethyl]amino]ethyl-[2-[[2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyacetyl]amino]ethyl]amino]ethylamino]ethyl-[2-(methylamino)ethyl]amino]ethyl]-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyacetamide?

The canonical SMILES for N-[2-[2-[2-[2-[2-aminoethyl-[2-[2-[2-aminoethyl-[2-(methylamino)ethyl]amino]ethylamino]ethyl]amino]ethyl-[2-[[2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyacetyl]amino]ethyl]amino]ethylamino]ethyl-[2-(methylamino)ethyl]amino]ethyl]-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyacetamide is CNCCN(CCN)CCNCCN(CCN)CCN(CCNCCN(CCNC)CCNC(=O)COC(C)(C)COC(C)(C)C)CCNC(=O)COC(C)(C)COC(C)(C)C.

What is the InChIKey of N-[2-[2-[2-[2-[2-aminoethyl-[2-[2-[2-aminoethyl-[2-(methylamino)ethyl]amino]ethylamino]ethyl]amino]ethyl-[2-[[2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyacetyl]amino]ethyl]amino]ethylamino]ethyl-[2-(methylamino)ethyl]amino]ethyl]-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyacetamide?

The InChIKey is CTQOUCMCDGOKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H98N12O6/c1-41(2,3)61-37-43(7,8)59-35-39(57)51-21-31-55(26-16-48-12)29-19-50-20-30-56(32-22-52-40(58)36-60-44(9,10)38-62-42(4,5)6)34-33-54(24-14-46)28-18-49-17-27-53(23-13-45)25-15-47-11/h47-50H,13-38,45-46H2,1-12H3,(H,51,57)(H,52,58).

What are the key properties of N-[2-[2-[2-[2-[2-aminoethyl-[2-[2-[2-aminoethyl-[2-(methylamino)ethyl]amino]ethylamino]ethyl]amino]ethyl-[2-[[2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyacetyl]amino]ethyl]amino]ethylamino]ethyl-[2-(methylamino)ethyl]amino]ethyl]-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyacetamide?

N-[2-[2-[2-[2-[2-aminoethyl-[2-[2-[2-aminoethyl-[2-(methylamino)ethyl]amino]ethylamino]ethyl]amino]ethyl-[2-[[2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyacetyl]amino]ethyl]amino]ethylamino]ethyl-[2-(methylamino)ethyl]amino]ethyl]-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyacetamide has a molecular weight of 891.35 g/mol, XLogP of -0.82, 41 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[2-[2-[2-aminoethyl-[2-[2-[2-aminoethyl-[2-(methylamino)ethyl]amino]ethylamino]ethyl]amino]ethyl-[2-[[2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyacetyl]amino]ethyl]amino]ethylamino]ethyl-[2-(methylamino)ethyl]amino]ethyl]-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyacetamide is sourced from PubChem (CID 123983731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).