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

C61H120N6O6 — CID 171071718

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

N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-N-dodecyl-2-(2-methoxyethylamino)acetamide (PubChem CID 171071718) has the molecular formula C61H120N6O6 and a molecular weight of 1033.67 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-(2-methoxyethylamino)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-(2-methoxyethylamino)acetamide
• PubChem CID: 171071718
• Molecular Formula: C61H120N6O6
• Molecular Weight: 1033.67 g/mol
• Exact Mass: 1032.93
• IUPAC Name: N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-N-dodecyl-2-(2-methoxyethylamino)acetamide
• SMILES: CCCCCCCCCCCCN(CC(N)=O)C(=O)CN(CCCCCCCCCCCC)C(=O)CN(CCCCCCCCCCCC)C(=O)CN(CCCCCCCCCCCC)C(=O)CNCCOC
• InChI: InChI=1S/C61H120N6O6/c1-6-10-14-18-22-26-30-34-38-42-47-64(53-57(62)68)59(70)55-66(49-44-40-36-32-28-24-20-16-12-8-3)61(72)56-67(50-45-41-37-33-29-25-21-17-13-9-4)60(71)54-65(58(69)52-63-46-51-73-5)48-43-39-35-31-27-23-19-15-11-7-2/h63H,6-56H2,1-5H3,(H2,62,68)
• InChIKey: FBWYARKCDBMGFM-UHFFFAOYSA-N
• XLogP: 13.71
• TPSA: 145.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 57
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1033.67
LogP ≤ 5	13.71
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-(2-methoxyethylamino)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-(2-methoxyethylamino)acetamide (CID 171071718) is N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-N-dodecyl-2-(2-methoxyethylamino)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-(2-methoxyethylamino)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-(2-methoxyethylamino)acetamide is CCCCCCCCCCCCN(CC(N)=O)C(=O)CN(CCCCCCCCCCCC)C(=O)CN(CCCCCCCCCCCC)C(=O)CN(CCCCCCCCCCCC)C(=O)CNCCOC.

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-(2-methoxyethylamino)acetamide?

The InChIKey is FBWYARKCDBMGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H120N6O6/c1-6-10-14-18-22-26-30-34-38-42-47-64(53-57(62)68)59(70)55-66(49-44-40-36-32-28-24-20-16-12-8-3)61(72)56-67(50-45-41-37-33-29-25-21-17-13-9-4)60(71)54-65(58(69)52-63-46-51-73-5)48-43-39-35-31-27-23-19-15-11-7-2/h63H,6-56H2,1-5H3,(H2,62,68).

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-(2-methoxyethylamino)acetamide?

N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-N-dodecyl-2-(2-methoxyethylamino)acetamide has a molecular weight of 1033.67 g/mol, XLogP of 13.71, 57 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-(2-methoxyethylamino)acetamide is sourced from PubChem (CID 171071718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).