5-amino-N-[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-N-methylpentanamide

C55H106N8O7 — CID 167546882

About 5-amino-N-[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-N-methylpentanamide

5-amino-N-[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-N-methylpentanamide (PubChem CID 167546882) has the molecular formula C55H106N8O7 and a molecular weight of 991.50 g/mol. Its IUPAC name is 5-amino-N-[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-N-methylpentanamide.

Molecular Properties

• Compound Name: 5-amino-N-[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-N-methylpentanamide
• PubChem CID: 167546882
• Molecular Formula: C55H106N8O7
• Molecular Weight: 991.50 g/mol
• Exact Mass: 990.82
• IUPAC Name: 5-amino-N-[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-N-methylpentanamide
• SMILES: CCCCCCCCCCN(CC(=O)N(CC(=O)N(CCCCCCCCCC)CC(=O)N(CC(N)=O)CC(CC)CCCC)CC(CC)CCCC)C(=O)CN(C)C(=O)CN(C)C(=O)CCCCN
• InChI: InChI=1S/C55H106N8O7/c1-9-15-19-21-23-25-27-31-37-60(52(67)43-59(8)51(66)42-58(7)50(65)35-29-30-36-56)45-55(70)63(40-48(14-6)34-18-12-4)46-53(68)61(38-32-28-26-24-22-20-16-10-2)44-54(69)62(41-49(57)64)39-47(13-5)33-17-11-3/h47-48H,9-46,56H2,1-8H3,(H2,57,64)
• InChIKey: BXESNLCLWBUHMW-UHFFFAOYSA-N
• XLogP: 8.55
• TPSA: 190.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 46
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	991.50
LogP ≤ 5	8.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-N-methylpentanamide?

The IUPAC name of 5-amino-N-[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-N-methylpentanamide (CID 167546882) is 5-amino-N-[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-N-methylpentanamide.

What is the SMILES notation for 5-amino-N-[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-N-methylpentanamide?

The canonical SMILES for 5-amino-N-[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-N-methylpentanamide is CCCCCCCCCCN(CC(=O)N(CC(=O)N(CCCCCCCCCC)CC(=O)N(CC(N)=O)CC(CC)CCCC)CC(CC)CCCC)C(=O)CN(C)C(=O)CN(C)C(=O)CCCCN.

What is the InChIKey of 5-amino-N-[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-N-methylpentanamide?

The InChIKey is BXESNLCLWBUHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H106N8O7/c1-9-15-19-21-23-25-27-31-37-60(52(67)43-59(8)51(66)42-58(7)50(65)35-29-30-36-56)45-55(70)63(40-48(14-6)34-18-12-4)46-53(68)61(38-32-28-26-24-22-20-16-10-2)44-54(69)62(41-49(57)64)39-47(13-5)33-17-11-3/h47-48H,9-46,56H2,1-8H3,(H2,57,64).

What are the key properties of 5-amino-N-[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-N-methylpentanamide?

5-amino-N-[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-N-methylpentanamide has a molecular weight of 991.50 g/mol, XLogP of 8.55, 46 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-N-[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]-N-methylpentanamide is sourced from PubChem (CID 167546882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).