N,N-didecyl-6-[[6-(didecylamino)-6-oxohexyl]-(5-hydroxypentyl)amino]hexanamide

C57H115N3O3 — CID 168943837

IUPACN,N-didecyl-6-[[6-(didecylamino)-6-oxohexyl]-(5-hydroxypentyl)amino]hexanamide
SMILESCCCCCCCCCCN(CCCCCCCCCC)C(=O)CCCCCN(CCCCCO)CCCCCC(=O)N(CCCCCCCCCC)CCCCCCCCCC
InChIInChI=1S/C57H115N3O3/c1-5-9-13-17-21-25-29-41-51-59(52-42-30-26-22-18-14-10-6-2)56(62)46-36-33-38-48-58(50-40-35-45-55-61)49-39-34-37-47-57(63)60(53-43-31-27-23-19-15-11-7-3)54-44-32-28-24-20-16-12-8-4/h61H,5-55H2,1-4H3
InChIKeyYOLUXDAYFHFYTJ-UHFFFAOYSA-N
MW890.56 g/mol
LogP16.79
Rot. Bonds53

About N,N-didecyl-6-[[6-(didecylamino)-6-oxohexyl]-(5-hydroxypentyl)amino]hexanamide

N,N-didecyl-6-[[6-(didecylamino)-6-oxohexyl]-(5-hydroxypentyl)amino]hexanamide (PubChem CID 168943837) has the molecular formula C57H115N3O3 and a molecular weight of 890.56 g/mol. Its IUPAC name is N,N-didecyl-6-[[6-(didecylamino)-6-oxohexyl]-(5-hydroxypentyl)amino]hexanamide.

Molecular Properties

Compound NameN,N-didecyl-6-[[6-(didecylamino)-6-oxohexyl]-(5-hydroxypentyl)amino]hexanamide
PubChem CID168943837
Molecular FormulaC57H115N3O3
Molecular Weight890.56 g/mol
Exact Mass889.89
IUPAC NameN,N-didecyl-6-[[6-(didecylamino)-6-oxohexyl]-(5-hydroxypentyl)amino]hexanamide
SMILESCCCCCCCCCCN(CCCCCCCCCC)C(=O)CCCCCN(CCCCCO)CCCCCC(=O)N(CCCCCCCCCC)CCCCCCCCCC
InChIInChI=1S/C57H115N3O3/c1-5-9-13-17-21-25-29-41-51-59(52-42-30-26-22-18-14-10-6-2)56(62)46-36-33-38-48-58(50-40-35-45-55-61)49-39-34-37-47-57(63)60(53-43-31-27-23-19-15-11-7-3)54-44-32-28-24-20-16-12-8-4/h61H,5-55H2,1-4H3
InChIKeyYOLUXDAYFHFYTJ-UHFFFAOYSA-N
XLogP16.79
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds53
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500890.56
LogP ≤ 516.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-hexyl-8-[5-hydroxypentyl(octyl)amino]-N-octyloctanamide
CID 169189818
N,N-bis(3-hydroxypropyl)icosanamide
CID 102118836
N-[2-[hexadecanoyl(3-hydroxypropyl)amino]ethyl]-N-(3-hydroxypropyl)hexadecanamide
CID 18787706
N,N-di(nonyl)octanamide
CID 533141
N,N,N',N'-tetraoctylhexanediamide
CID 18938545
N,N-dioctyltetradecanamide
CID 169083302
N-butyl-N-octyldecanamide
CID 18913402
N-[3-[bis(3-hydroxypropyl)amino]propyl]-N-(3-hydroxypropyl)octadec-9-enamide
CID 173431386
N-hexyl-8-[2-hydroxyethyl(8-oxooctyl)amino]-N-octyloctanamide
CID 170224488
N,N-didecyl-6-[[6-(didecylamino)-6-oxohexyl]-[2-[hexyl(methyl)amino]ethyl]amino]hexanamide
CID 169065603
N,N-di(undecyl)pentanamide
CID 532896
6-bromo-N,N-dioctylhexanamide
CID 533338

Frequently Asked Questions

What is the IUPAC name of N,N-didecyl-6-[[6-(didecylamino)-6-oxohexyl]-(5-hydroxypentyl)amino]hexanamide?
The IUPAC name of N,N-didecyl-6-[[6-(didecylamino)-6-oxohexyl]-(5-hydroxypentyl)amino]hexanamide (CID 168943837) is N,N-didecyl-6-[[6-(didecylamino)-6-oxohexyl]-(5-hydroxypentyl)amino]hexanamide.
What is the SMILES notation for N,N-didecyl-6-[[6-(didecylamino)-6-oxohexyl]-(5-hydroxypentyl)amino]hexanamide?
The canonical SMILES for N,N-didecyl-6-[[6-(didecylamino)-6-oxohexyl]-(5-hydroxypentyl)amino]hexanamide is CCCCCCCCCCN(CCCCCCCCCC)C(=O)CCCCCN(CCCCCO)CCCCCC(=O)N(CCCCCCCCCC)CCCCCCCCCC.
What is the InChIKey of N,N-didecyl-6-[[6-(didecylamino)-6-oxohexyl]-(5-hydroxypentyl)amino]hexanamide?
The InChIKey is YOLUXDAYFHFYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H115N3O3/c1-5-9-13-17-21-25-29-41-51-59(52-42-30-26-22-18-14-10-6-2)56(62)46-36-33-38-48-58(50-40-35-45-55-61)49-39-34-37-47-57(63)60(53-43-31-27-23-19-15-11-7-3)54-44-32-28-24-20-16-12-8-4/h61H,5-55H2,1-4H3.
What are the key properties of N,N-didecyl-6-[[6-(didecylamino)-6-oxohexyl]-(5-hydroxypentyl)amino]hexanamide?
N,N-didecyl-6-[[6-(didecylamino)-6-oxohexyl]-(5-hydroxypentyl)amino]hexanamide has a molecular weight of 890.56 g/mol, XLogP of 16.79, 53 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-didecyl-6-[[6-(didecylamino)-6-oxohexyl]-(5-hydroxypentyl)amino]hexanamide is sourced from PubChem (CID 168943837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).