N-hexyl-8-[5-hydroxypentyl(octyl)amino]-N-octyloctanamide

C35H72N2O2 — CID 169189818

IUPACN-hexyl-8-[5-hydroxypentyl(octyl)amino]-N-octyloctanamide
SMILESCCCCCCCCN(CCCCCO)CCCCCCCC(=O)N(CCCCCC)CCCCCCCC
InChIInChI=1S/C35H72N2O2/c1-4-7-10-13-17-22-29-36(31-24-20-27-34-38)30-23-18-15-16-21-28-35(39)37(32-25-12-9-6-3)33-26-19-14-11-8-5-2/h38H,4-34H2,1-3H3
InChIKeyWJOZGCSCMGJLAR-UHFFFAOYSA-N
MW552.97 g/mol
LogP9.92
Rot. Bonds32

About N-hexyl-8-[5-hydroxypentyl(octyl)amino]-N-octyloctanamide

N-hexyl-8-[5-hydroxypentyl(octyl)amino]-N-octyloctanamide (PubChem CID 169189818) has the molecular formula C35H72N2O2 and a molecular weight of 552.97 g/mol. Its IUPAC name is N-hexyl-8-[5-hydroxypentyl(octyl)amino]-N-octyloctanamide.

Molecular Properties

Compound NameN-hexyl-8-[5-hydroxypentyl(octyl)amino]-N-octyloctanamide
PubChem CID169189818
Molecular FormulaC35H72N2O2
Molecular Weight552.97 g/mol
Exact Mass552.56
IUPAC NameN-hexyl-8-[5-hydroxypentyl(octyl)amino]-N-octyloctanamide
SMILESCCCCCCCCN(CCCCCO)CCCCCCCC(=O)N(CCCCCC)CCCCCCCC
InChIInChI=1S/C35H72N2O2/c1-4-7-10-13-17-22-29-36(31-24-20-27-34-38)30-23-18-15-16-21-28-35(39)37(32-25-12-9-6-3)33-26-19-14-11-8-5-2/h38H,4-34H2,1-3H3
InChIKeyWJOZGCSCMGJLAR-UHFFFAOYSA-N
XLogP9.92
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds32
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.97
LogP ≤ 59.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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]-(5-hydroxypentyl)amino]hexanamide
CID 168943837
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-hexyl-8-[5-hydroxypentyl(octyl)amino]-N-octyloctanamide?
The IUPAC name of N-hexyl-8-[5-hydroxypentyl(octyl)amino]-N-octyloctanamide (CID 169189818) is N-hexyl-8-[5-hydroxypentyl(octyl)amino]-N-octyloctanamide.
What is the SMILES notation for N-hexyl-8-[5-hydroxypentyl(octyl)amino]-N-octyloctanamide?
The canonical SMILES for N-hexyl-8-[5-hydroxypentyl(octyl)amino]-N-octyloctanamide is CCCCCCCCN(CCCCCO)CCCCCCCC(=O)N(CCCCCC)CCCCCCCC.
What is the InChIKey of N-hexyl-8-[5-hydroxypentyl(octyl)amino]-N-octyloctanamide?
The InChIKey is WJOZGCSCMGJLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H72N2O2/c1-4-7-10-13-17-22-29-36(31-24-20-27-34-38)30-23-18-15-16-21-28-35(39)37(32-25-12-9-6-3)33-26-19-14-11-8-5-2/h38H,4-34H2,1-3H3.
What are the key properties of N-hexyl-8-[5-hydroxypentyl(octyl)amino]-N-octyloctanamide?
N-hexyl-8-[5-hydroxypentyl(octyl)amino]-N-octyloctanamide has a molecular weight of 552.97 g/mol, XLogP of 9.92, 32 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-8-[5-hydroxypentyl(octyl)amino]-N-octyloctanamide is sourced from PubChem (CID 169189818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).