2-hexyl-N-[8-[8-[2-hexyldecanoyl(methyl)amino]octyl-methylamino]octyl]-N-methyldecanamide

C51H103N3O2 — CID 168943795

IUPAC2-hexyl-N-[8-[8-[2-hexyldecanoyl(methyl)amino]octyl-methylamino]octyl]-N-methyldecanamide
SMILESCCCCCCCCC(CCCCCC)C(=O)N(C)CCCCCCCCN(C)CCCCCCCCN(C)C(=O)C(CCCCCC)CCCCCCCC
InChIInChI=1S/C51H103N3O2/c1-8-12-16-20-26-34-42-48(40-32-18-14-10-3)50(55)53(6)46-38-30-24-22-28-36-44-52(5)45-37-29-23-25-31-39-47-54(7)51(56)49(41-33-19-15-11-4)43-35-27-21-17-13-9-2/h48-49H,8-47H2,1-7H3
InChIKeyQQCYAUPOZDKZHU-UHFFFAOYSA-N
MW790.40 g/mol
LogP15.19
Rot. Bonds44

About 2-hexyl-N-[8-[8-[2-hexyldecanoyl(methyl)amino]octyl-methylamino]octyl]-N-methyldecanamide

2-hexyl-N-[8-[8-[2-hexyldecanoyl(methyl)amino]octyl-methylamino]octyl]-N-methyldecanamide (PubChem CID 168943795) has the molecular formula C51H103N3O2 and a molecular weight of 790.40 g/mol. Its IUPAC name is 2-hexyl-N-[8-[8-[2-hexyldecanoyl(methyl)amino]octyl-methylamino]octyl]-N-methyldecanamide.

Molecular Properties

Compound Name2-hexyl-N-[8-[8-[2-hexyldecanoyl(methyl)amino]octyl-methylamino]octyl]-N-methyldecanamide
PubChem CID168943795
Molecular FormulaC51H103N3O2
Molecular Weight790.40 g/mol
Exact Mass789.81
IUPAC Name2-hexyl-N-[8-[8-[2-hexyldecanoyl(methyl)amino]octyl-methylamino]octyl]-N-methyldecanamide
SMILESCCCCCCCCC(CCCCCC)C(=O)N(C)CCCCCCCCN(C)CCCCCCCCN(C)C(=O)C(CCCCCC)CCCCCCCC
InChIInChI=1S/C51H103N3O2/c1-8-12-16-20-26-34-42-48(40-32-18-14-10-3)50(55)53(6)46-38-30-24-22-28-36-44-52(5)45-37-29-23-25-31-39-47-54(7)51(56)49(41-33-19-15-11-4)43-35-27-21-17-13-9-2/h48-49H,8-47H2,1-7H3
InChIKeyQQCYAUPOZDKZHU-UHFFFAOYSA-N
XLogP15.19
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds44
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.40
LogP ≤ 515.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-hexyl-N-[8-[8-[2-hexyldecanoyl(methyl)amino]octyl-methylamino]octyl]-N-methyldecanamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-hexyl-N-[8-[8-[2-hexyldecanoyl(methyl)amino]octyl-methylamino]octyl]-N-methyldecanamide?
The IUPAC name of 2-hexyl-N-[8-[8-[2-hexyldecanoyl(methyl)amino]octyl-methylamino]octyl]-N-methyldecanamide (CID 168943795) is 2-hexyl-N-[8-[8-[2-hexyldecanoyl(methyl)amino]octyl-methylamino]octyl]-N-methyldecanamide.
What is the SMILES notation for 2-hexyl-N-[8-[8-[2-hexyldecanoyl(methyl)amino]octyl-methylamino]octyl]-N-methyldecanamide?
The canonical SMILES for 2-hexyl-N-[8-[8-[2-hexyldecanoyl(methyl)amino]octyl-methylamino]octyl]-N-methyldecanamide is CCCCCCCCC(CCCCCC)C(=O)N(C)CCCCCCCCN(C)CCCCCCCCN(C)C(=O)C(CCCCCC)CCCCCCCC.
What is the InChIKey of 2-hexyl-N-[8-[8-[2-hexyldecanoyl(methyl)amino]octyl-methylamino]octyl]-N-methyldecanamide?
The InChIKey is QQCYAUPOZDKZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H103N3O2/c1-8-12-16-20-26-34-42-48(40-32-18-14-10-3)50(55)53(6)46-38-30-24-22-28-36-44-52(5)45-37-29-23-25-31-39-47-54(7)51(56)49(41-33-19-15-11-4)43-35-27-21-17-13-9-2/h48-49H,8-47H2,1-7H3.
What are the key properties of 2-hexyl-N-[8-[8-[2-hexyldecanoyl(methyl)amino]octyl-methylamino]octyl]-N-methyldecanamide?
2-hexyl-N-[8-[8-[2-hexyldecanoyl(methyl)amino]octyl-methylamino]octyl]-N-methyldecanamide has a molecular weight of 790.40 g/mol, XLogP of 15.19, 44 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-N-[8-[8-[2-hexyldecanoyl(methyl)amino]octyl-methylamino]octyl]-N-methyldecanamide is sourced from PubChem (CID 168943795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).