N,N-didecyl-6-[[6-(didecylamino)-6-oxohexyl]-[2-[hexyl(methyl)amino]ethyl]amino]hexanamide

C61H124N4O2 — CID 169065603

IUPACN,N-didecyl-6-[[6-(didecylamino)-6-oxohexyl]-[2-[hexyl(methyl)amino]ethyl]amino]hexanamide
SMILESCCCCCCCCCCN(CCCCCCCCCC)C(=O)CCCCCN(CCCCCC(=O)N(CCCCCCCCCC)CCCCCCCCCC)CCN(C)CCCCCC
InChIInChI=1S/C61H124N4O2/c1-7-12-17-22-26-30-34-45-54-64(55-46-35-31-27-23-18-13-8-2)60(66)49-40-38-43-52-63(59-58-62(6)51-42-21-16-11-5)53-44-39-41-50-61(67)65(56-47-36-32-28-24-19-14-9-3)57-48-37-33-29-25-20-15-10-4/h7-59H2,1-6H3
InChIKeyYOYSFQCQTQCGSD-UHFFFAOYSA-N
MW945.69 g/mol
LogP18.14
Rot. Bonds56

About N,N-didecyl-6-[[6-(didecylamino)-6-oxohexyl]-[2-[hexyl(methyl)amino]ethyl]amino]hexanamide

N,N-didecyl-6-[[6-(didecylamino)-6-oxohexyl]-[2-[hexyl(methyl)amino]ethyl]amino]hexanamide (PubChem CID 169065603) has the molecular formula C61H124N4O2 and a molecular weight of 945.69 g/mol. Its IUPAC name is N,N-didecyl-6-[[6-(didecylamino)-6-oxohexyl]-[2-[hexyl(methyl)amino]ethyl]amino]hexanamide.

Molecular Properties

Compound NameN,N-didecyl-6-[[6-(didecylamino)-6-oxohexyl]-[2-[hexyl(methyl)amino]ethyl]amino]hexanamide
PubChem CID169065603
Molecular FormulaC61H124N4O2
Molecular Weight945.69 g/mol
Exact Mass944.97
IUPAC NameN,N-didecyl-6-[[6-(didecylamino)-6-oxohexyl]-[2-[hexyl(methyl)amino]ethyl]amino]hexanamide
SMILESCCCCCCCCCCN(CCCCCCCCCC)C(=O)CCCCCN(CCCCCC(=O)N(CCCCCCCCCC)CCCCCCCCCC)CCN(C)CCCCCC
InChIInChI=1S/C61H124N4O2/c1-7-12-17-22-26-30-34-45-54-64(55-46-35-31-27-23-18-13-8-2)60(66)49-40-38-43-52-63(59-58-62(6)51-42-21-16-11-5)53-44-39-41-50-61(67)65(56-47-36-32-28-24-19-14-9-3)57-48-37-33-29-25-20-15-10-4/h7-59H2,1-6H3
InChIKeyYOYSFQCQTQCGSD-UHFFFAOYSA-N
XLogP18.14
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds56
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500945.69
LogP ≤ 518.14
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-8-[[10-(dioctylamino)-8-oxodecyl]-methylamino]octanamide
CID 170225403
N,N-di(nonyl)octanamide
CID 533141
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
N-butyl-N-octyldecanamide
CID 18913402
N,N-di(undecyl)pentanamide
CID 532896
N-methyl-N,N'-di(tetradecyl)-N'-tridecylethane-1,2-diamine
CID 170755235
8-bromo-N,N-didecyloctanamide;ethane
CID 168943816
6-bromo-N,N-dioctylhexanamide
CID 533338
N',N'-dioctylhexanediamide
CID 53437404

Frequently Asked Questions

What is the IUPAC name of N,N-didecyl-6-[[6-(didecylamino)-6-oxohexyl]-[2-[hexyl(methyl)amino]ethyl]amino]hexanamide?
The IUPAC name of N,N-didecyl-6-[[6-(didecylamino)-6-oxohexyl]-[2-[hexyl(methyl)amino]ethyl]amino]hexanamide (CID 169065603) is N,N-didecyl-6-[[6-(didecylamino)-6-oxohexyl]-[2-[hexyl(methyl)amino]ethyl]amino]hexanamide.
What is the SMILES notation for N,N-didecyl-6-[[6-(didecylamino)-6-oxohexyl]-[2-[hexyl(methyl)amino]ethyl]amino]hexanamide?
The canonical SMILES for N,N-didecyl-6-[[6-(didecylamino)-6-oxohexyl]-[2-[hexyl(methyl)amino]ethyl]amino]hexanamide is CCCCCCCCCCN(CCCCCCCCCC)C(=O)CCCCCN(CCCCCC(=O)N(CCCCCCCCCC)CCCCCCCCCC)CCN(C)CCCCCC.
What is the InChIKey of N,N-didecyl-6-[[6-(didecylamino)-6-oxohexyl]-[2-[hexyl(methyl)amino]ethyl]amino]hexanamide?
The InChIKey is YOYSFQCQTQCGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H124N4O2/c1-7-12-17-22-26-30-34-45-54-64(55-46-35-31-27-23-18-13-8-2)60(66)49-40-38-43-52-63(59-58-62(6)51-42-21-16-11-5)53-44-39-41-50-61(67)65(56-47-36-32-28-24-19-14-9-3)57-48-37-33-29-25-20-15-10-4/h7-59H2,1-6H3.
What are the key properties of N,N-didecyl-6-[[6-(didecylamino)-6-oxohexyl]-[2-[hexyl(methyl)amino]ethyl]amino]hexanamide?
N,N-didecyl-6-[[6-(didecylamino)-6-oxohexyl]-[2-[hexyl(methyl)amino]ethyl]amino]hexanamide has a molecular weight of 945.69 g/mol, XLogP of 18.14, 56 rotatable bonds, 0 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]-[2-[hexyl(methyl)amino]ethyl]amino]hexanamide is sourced from PubChem (CID 169065603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).