N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-ethylhexyl)amino]-2-oxoethyl]-N-decyl-5-[di(propan-2-yl)amino]pentanamide

C55H108N6O5 — CID 167539364

About N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-ethylhexyl)amino]-2-oxoethyl]-N-decyl-5-[di(propan-2-yl)amino]pentanamide

N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-ethylhexyl)amino]-2-oxoethyl]-N-decyl-5-[di(propan-2-yl)amino]pentanamide (PubChem CID 167539364) has the molecular formula C55H108N6O5 and a molecular weight of 933.51 g/mol. Its IUPAC name is N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-ethylhexyl)amino]-2-oxoethyl]-N-decyl-5-[di(propan-2-yl)amino]pentanamide.

Molecular Properties

• Compound Name: N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-ethylhexyl)amino]-2-oxoethyl]-N-decyl-5-[di(propan-2-yl)amino]pentanamide
• PubChem CID: 167539364
• Molecular Formula: C55H108N6O5
• Molecular Weight: 933.51 g/mol
• Exact Mass: 932.84
• IUPAC Name: N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-ethylhexyl)amino]-2-oxoethyl]-N-decyl-5-[di(propan-2-yl)amino]pentanamide
• SMILES: CCCCCCCCCCN(CC(=O)N(CC(=O)N(CCCCCCCCCC)CC(=O)N(CC(N)=O)CC(CC)CCCC)CC(CC)CCCC)C(=O)CCCCN(C(C)C)C(C)C
• InChI: InChI=1S/C55H108N6O5/c1-11-17-21-23-25-27-29-32-38-57(52(63)37-31-34-40-61(47(7)8)48(9)10)44-55(66)60(42-50(16-6)36-20-14-4)46-53(64)58(39-33-30-28-26-24-22-18-12-2)45-54(65)59(43-51(56)62)41-49(15-5)35-19-13-3/h47-50H,11-46H2,1-10H3,(H2,56,62)
• InChIKey: AYUUIHHFHDOULM-UHFFFAOYSA-N
• XLogP: 11.79
• TPSA: 127.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 45
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	933.51
LogP ≤ 5	11.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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)-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-ethylhexyl)amino]-2-oxoethyl]-N-decyl-5-[di(propan-2-yl)amino]pentanamide?

The IUPAC name of N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-ethylhexyl)amino]-2-oxoethyl]-N-decyl-5-[di(propan-2-yl)amino]pentanamide (CID 167539364) is N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-ethylhexyl)amino]-2-oxoethyl]-N-decyl-5-[di(propan-2-yl)amino]pentanamide.

What is the SMILES notation for N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-ethylhexyl)amino]-2-oxoethyl]-N-decyl-5-[di(propan-2-yl)amino]pentanamide?

The canonical SMILES for N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-ethylhexyl)amino]-2-oxoethyl]-N-decyl-5-[di(propan-2-yl)amino]pentanamide is CCCCCCCCCCN(CC(=O)N(CC(=O)N(CCCCCCCCCC)CC(=O)N(CC(N)=O)CC(CC)CCCC)CC(CC)CCCC)C(=O)CCCCN(C(C)C)C(C)C.

What is the InChIKey of N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-ethylhexyl)amino]-2-oxoethyl]-N-decyl-5-[di(propan-2-yl)amino]pentanamide?

The InChIKey is AYUUIHHFHDOULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H108N6O5/c1-11-17-21-23-25-27-29-32-38-57(52(63)37-31-34-40-61(47(7)8)48(9)10)44-55(66)60(42-50(16-6)36-20-14-4)46-53(64)58(39-33-30-28-26-24-22-18-12-2)45-54(65)59(43-51(56)62)41-49(15-5)35-19-13-3/h47-50H,11-46H2,1-10H3,(H2,56,62).

What are the key properties of N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-ethylhexyl)amino]-2-oxoethyl]-N-decyl-5-[di(propan-2-yl)amino]pentanamide?

N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-ethylhexyl)amino]-2-oxoethyl]-N-decyl-5-[di(propan-2-yl)amino]pentanamide has a molecular weight of 933.51 g/mol, XLogP of 11.79, 45 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[2-[[2-[(2-amino-2-oxoethyl)-(2-ethylhexyl)amino]-2-oxoethyl]-decylamino]-2-oxoethyl]-(2-ethylhexyl)amino]-2-oxoethyl]-N-decyl-5-[di(propan-2-yl)amino]pentanamide is sourced from PubChem (CID 167539364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).