N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-hexylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-hexylamino]-2-oxoethyl]-N-decyl-2-(2-hydroxyethylamino)acetamide

C44H86N6O6 — CID 176551991

About N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-hexylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-hexylamino]-2-oxoethyl]-N-decyl-2-(2-hydroxyethylamino)acetamide

N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-hexylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-hexylamino]-2-oxoethyl]-N-decyl-2-(2-hydroxyethylamino)acetamide (PubChem CID 176551991) has the molecular formula C44H86N6O6 and a molecular weight of 795.21 g/mol. Its IUPAC name is N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-hexylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-hexylamino]-2-oxoethyl]-N-decyl-2-(2-hydroxyethylamino)acetamide.

Molecular Properties

• Compound Name: N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-hexylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-hexylamino]-2-oxoethyl]-N-decyl-2-(2-hydroxyethylamino)acetamide
• PubChem CID: 176551991
• Molecular Formula: C44H86N6O6
• Molecular Weight: 795.21 g/mol
• Exact Mass: 794.66
• IUPAC Name: N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-hexylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-hexylamino]-2-oxoethyl]-N-decyl-2-(2-hydroxyethylamino)acetamide
• SMILES: CCCCCCCCCCN(CC(=O)N(CCCCCC)CC(=O)N(CCCCCCCCCC)CC(=O)N(CCCCCC)CC(N)=O)C(=O)CNCCO
• InChI: InChI=1S/C44H86N6O6/c1-5-9-13-17-19-21-23-27-31-48(41(53)35-46-29-34-51)37-43(55)49(32-26-16-12-8-4)39-44(56)50(33-28-24-22-20-18-14-10-6-2)38-42(54)47(36-40(45)52)30-25-15-11-7-3/h46,51H,5-39H2,1-4H3,(H2,45,52)
• InChIKey: SFOOZSITBVJDBK-UHFFFAOYSA-N
• XLogP: 6.81
• TPSA: 156.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 40
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	795.21
LogP ≤ 5	6.81
H-Bond Donors ≤ 5	3
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)-hexylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-hexylamino]-2-oxoethyl]-N-decyl-2-(2-hydroxyethylamino)acetamide?

The IUPAC name of N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-hexylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-hexylamino]-2-oxoethyl]-N-decyl-2-(2-hydroxyethylamino)acetamide (CID 176551991) is N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-hexylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-hexylamino]-2-oxoethyl]-N-decyl-2-(2-hydroxyethylamino)acetamide.

What is the SMILES notation for N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-hexylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-hexylamino]-2-oxoethyl]-N-decyl-2-(2-hydroxyethylamino)acetamide?

The canonical SMILES for N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-hexylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-hexylamino]-2-oxoethyl]-N-decyl-2-(2-hydroxyethylamino)acetamide is CCCCCCCCCCN(CC(=O)N(CCCCCC)CC(=O)N(CCCCCCCCCC)CC(=O)N(CCCCCC)CC(N)=O)C(=O)CNCCO.

What is the InChIKey of N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-hexylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-hexylamino]-2-oxoethyl]-N-decyl-2-(2-hydroxyethylamino)acetamide?

The InChIKey is SFOOZSITBVJDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H86N6O6/c1-5-9-13-17-19-21-23-27-31-48(41(53)35-46-29-34-51)37-43(55)49(32-26-16-12-8-4)39-44(56)50(33-28-24-22-20-18-14-10-6-2)38-42(54)47(36-40(45)52)30-25-15-11-7-3/h46,51H,5-39H2,1-4H3,(H2,45,52).

What are the key properties of N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-hexylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-hexylamino]-2-oxoethyl]-N-decyl-2-(2-hydroxyethylamino)acetamide?

N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-hexylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-hexylamino]-2-oxoethyl]-N-decyl-2-(2-hydroxyethylamino)acetamide has a molecular weight of 795.21 g/mol, XLogP of 6.81, 40 rotatable bonds, 3 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)-hexylamino]-2-oxoethyl]-decylamino]-2-oxoethyl]-hexylamino]-2-oxoethyl]-N-decyl-2-(2-hydroxyethylamino)acetamide is sourced from PubChem (CID 176551991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).