N,N-didecyl-8-[[10-(dioctylamino)-8-oxodecyl]-methylamino]octanamide

C55H111N3O2 — CID 170225403

IUPACN,N-didecyl-8-[[10-(dioctylamino)-8-oxodecyl]-methylamino]octanamide
SMILESCCCCCCCCCCN(CCCCCCCCCC)C(=O)CCCCCCCN(C)CCCCCCCC(=O)CCN(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C55H111N3O2/c1-6-10-14-18-22-24-34-42-51-58(52-43-35-25-23-19-15-11-7-2)55(60)45-37-29-27-31-39-48-56(5)47-38-30-26-28-36-44-54(59)46-53-57(49-40-32-20-16-12-8-3)50-41-33-21-17-13-9-4/h6-53H2,1-5H3
InChIKeyPYGNVBXOCTTZIX-UHFFFAOYSA-N
MW846.51 g/mol
LogP16.69
Rot. Bonds51

About N,N-didecyl-8-[[10-(dioctylamino)-8-oxodecyl]-methylamino]octanamide

N,N-didecyl-8-[[10-(dioctylamino)-8-oxodecyl]-methylamino]octanamide (PubChem CID 170225403) has the molecular formula C55H111N3O2 and a molecular weight of 846.51 g/mol. Its IUPAC name is N,N-didecyl-8-[[10-(dioctylamino)-8-oxodecyl]-methylamino]octanamide.

Molecular Properties

Compound NameN,N-didecyl-8-[[10-(dioctylamino)-8-oxodecyl]-methylamino]octanamide
PubChem CID170225403
Molecular FormulaC55H111N3O2
Molecular Weight846.51 g/mol
Exact Mass845.87
IUPAC NameN,N-didecyl-8-[[10-(dioctylamino)-8-oxodecyl]-methylamino]octanamide
SMILESCCCCCCCCCCN(CCCCCCCCCC)C(=O)CCCCCCCN(C)CCCCCCCC(=O)CCN(CCCCCCCC)CCCCCCCC
InChIInChI=1S/C55H111N3O2/c1-6-10-14-18-22-24-34-42-51-58(52-43-35-25-23-19-15-11-7-2)55(60)45-37-29-27-31-39-48-56(5)47-38-30-26-28-36-44-54(59)46-53-57(49-40-32-20-16-12-8-3)50-41-33-21-17-13-9-4/h6-53H2,1-5H3
InChIKeyPYGNVBXOCTTZIX-UHFFFAOYSA-N
XLogP16.69
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds51
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500846.51
LogP ≤ 516.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-didecyl-6-[[6-(didecylamino)-6-oxohexyl]-[2-[hexyl(methyl)amino]ethyl]amino]hexanamide
CID 169065603
N,N-di(nonyl)octanamide
CID 533141
1-[methyl(3-oxooctadecyl)amino]octadecan-3-one
CID 141082877
N,N,N',N'-tetraoctylhexanediamide
CID 18938545
N,N-dioctyltetradecanamide
CID 169083302
N-hexyl-8-[5-hydroxypentyl(octyl)amino]-N-octyloctanamide
CID 169189818
N,N-didecyl-6-[[6-(didecylamino)-6-oxohexyl]-(5-hydroxypentyl)amino]hexanamide
CID 168943837
8-bromo-N,N-didecyloctanamide;ethane
CID 168943816
6-bromo-N,N-dioctylhexanamide
CID 533338
N-butyl-N-octyldecanamide
CID 18913402
4-bromo-N,N-didecylbutanamide
CID 168865726
N,N-di(undecyl)pentanamide
CID 532896

Frequently Asked Questions

What is the IUPAC name of N,N-didecyl-8-[[10-(dioctylamino)-8-oxodecyl]-methylamino]octanamide?
The IUPAC name of N,N-didecyl-8-[[10-(dioctylamino)-8-oxodecyl]-methylamino]octanamide (CID 170225403) is N,N-didecyl-8-[[10-(dioctylamino)-8-oxodecyl]-methylamino]octanamide.
What is the SMILES notation for N,N-didecyl-8-[[10-(dioctylamino)-8-oxodecyl]-methylamino]octanamide?
The canonical SMILES for N,N-didecyl-8-[[10-(dioctylamino)-8-oxodecyl]-methylamino]octanamide is CCCCCCCCCCN(CCCCCCCCCC)C(=O)CCCCCCCN(C)CCCCCCCC(=O)CCN(CCCCCCCC)CCCCCCCC.
What is the InChIKey of N,N-didecyl-8-[[10-(dioctylamino)-8-oxodecyl]-methylamino]octanamide?
The InChIKey is PYGNVBXOCTTZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H111N3O2/c1-6-10-14-18-22-24-34-42-51-58(52-43-35-25-23-19-15-11-7-2)55(60)45-37-29-27-31-39-48-56(5)47-38-30-26-28-36-44-54(59)46-53-57(49-40-32-20-16-12-8-3)50-41-33-21-17-13-9-4/h6-53H2,1-5H3.
What are the key properties of N,N-didecyl-8-[[10-(dioctylamino)-8-oxodecyl]-methylamino]octanamide?
N,N-didecyl-8-[[10-(dioctylamino)-8-oxodecyl]-methylamino]octanamide has a molecular weight of 846.51 g/mol, XLogP of 16.69, 51 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-didecyl-8-[[10-(dioctylamino)-8-oxodecyl]-methylamino]octanamide is sourced from PubChem (CID 170225403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).