N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-N-dodecyl-2-(3-methoxypropylamino)acetamide

C62H122N6O6 — CID 171071740

About N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-N-dodecyl-2-(3-methoxypropylamino)acetamide

N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-N-dodecyl-2-(3-methoxypropylamino)acetamide (PubChem CID 171071740) has the molecular formula C62H122N6O6 and a molecular weight of 1047.69 g/mol. Its IUPAC name is N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-N-dodecyl-2-(3-methoxypropylamino)acetamide.

Molecular Properties

• Compound Name: N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-N-dodecyl-2-(3-methoxypropylamino)acetamide
• PubChem CID: 171071740
• Molecular Formula: C62H122N6O6
• Molecular Weight: 1047.69 g/mol
• Exact Mass: 1046.94
• IUPAC Name: N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-N-dodecyl-2-(3-methoxypropylamino)acetamide
• SMILES: CCCCCCCCCCCCN(CC(N)=O)C(=O)CN(CCCCCCCCCCCC)C(=O)CN(CCCCCCCCCCCC)C(=O)CN(CCCCCCCCCCCC)C(=O)CNCCCOC
• InChI: InChI=1S/C62H122N6O6/c1-6-10-14-18-22-26-30-34-38-42-48-65(54-58(63)69)60(71)56-67(50-44-40-36-32-28-24-20-16-12-8-3)62(73)57-68(51-45-41-37-33-29-25-21-17-13-9-4)61(72)55-66(59(70)53-64-47-46-52-74-5)49-43-39-35-31-27-23-19-15-11-7-2/h64H,6-57H2,1-5H3,(H2,63,69)
• InChIKey: VTKRCCMCWVKFMZ-UHFFFAOYSA-N
• XLogP: 14.10
• TPSA: 145.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 58
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1047.69
LogP ≤ 5	14.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

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-amino-2-oxoethyl)-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-N-dodecyl-2-(3-methoxypropylamino)acetamide?

The IUPAC name of N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-N-dodecyl-2-(3-methoxypropylamino)acetamide (CID 171071740) is N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-N-dodecyl-2-(3-methoxypropylamino)acetamide.

What is the SMILES notation for N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-N-dodecyl-2-(3-methoxypropylamino)acetamide?

The canonical SMILES for N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-N-dodecyl-2-(3-methoxypropylamino)acetamide is CCCCCCCCCCCCN(CC(N)=O)C(=O)CN(CCCCCCCCCCCC)C(=O)CN(CCCCCCCCCCCC)C(=O)CN(CCCCCCCCCCCC)C(=O)CNCCCOC.

What is the InChIKey of N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-N-dodecyl-2-(3-methoxypropylamino)acetamide?

The InChIKey is VTKRCCMCWVKFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H122N6O6/c1-6-10-14-18-22-26-30-34-38-42-48-65(54-58(63)69)60(71)56-67(50-44-40-36-32-28-24-20-16-12-8-3)62(73)57-68(51-45-41-37-33-29-25-21-17-13-9-4)61(72)55-66(59(70)53-64-47-46-52-74-5)49-43-39-35-31-27-23-19-15-11-7-2/h64H,6-57H2,1-5H3,(H2,63,69).

What are the key properties of N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-N-dodecyl-2-(3-methoxypropylamino)acetamide?

N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-N-dodecyl-2-(3-methoxypropylamino)acetamide has a molecular weight of 1047.69 g/mol, XLogP of 14.10, 58 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-N-dodecyl-2-(3-methoxypropylamino)acetamide is sourced from PubChem (CID 171071740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).