N-hexyl-8-[2-hydroxyethyl(8-oxooctyl)amino]-N-octyloctanamide

C32H64N2O3 — CID 170224488

IUPACN-hexyl-8-[2-hydroxyethyl(8-oxooctyl)amino]-N-octyloctanamide
SMILESCCCCCCCCN(CCCCCC)C(=O)CCCCCCCN(CCO)CCCCCCCC=O
InChIInChI=1S/C32H64N2O3/c1-3-5-7-9-16-22-28-34(27-21-8-6-4-2)32(37)24-18-13-12-15-20-26-33(29-31-36)25-19-14-10-11-17-23-30-35/h30,36H,3-29,31H2,1-2H3
InChIKeyAMGUJJDGIWQOLV-UHFFFAOYSA-N
MW524.88 g/mol
LogP7.93
Rot. Bonds30

About N-hexyl-8-[2-hydroxyethyl(8-oxooctyl)amino]-N-octyloctanamide

N-hexyl-8-[2-hydroxyethyl(8-oxooctyl)amino]-N-octyloctanamide (PubChem CID 170224488) has the molecular formula C32H64N2O3 and a molecular weight of 524.88 g/mol. Its IUPAC name is N-hexyl-8-[2-hydroxyethyl(8-oxooctyl)amino]-N-octyloctanamide.

Molecular Properties

Compound NameN-hexyl-8-[2-hydroxyethyl(8-oxooctyl)amino]-N-octyloctanamide
PubChem CID170224488
Molecular FormulaC32H64N2O3
Molecular Weight524.88 g/mol
Exact Mass524.49
IUPAC NameN-hexyl-8-[2-hydroxyethyl(8-oxooctyl)amino]-N-octyloctanamide
SMILESCCCCCCCCN(CCCCCC)C(=O)CCCCCCCN(CCO)CCCCCCCC=O
InChIInChI=1S/C32H64N2O3/c1-3-5-7-9-16-22-28-34(27-21-8-6-4-2)32(37)24-18-13-12-15-20-26-33(29-31-36)25-19-14-10-11-17-23-30-35/h30,36H,3-29,31H2,1-2H3
InChIKeyAMGUJJDGIWQOLV-UHFFFAOYSA-N
XLogP7.93
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds30
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.88
LogP ≤ 57.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N-hexyl-11-oxoundecanamide
CID 172894369
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-[3-[bis(3-hydroxypropyl)amino]propyl]-N-(3-hydroxypropyl)octadec-9-enamide
CID 173431386
N,N-dioctadecyl-4-oxobutanamide
CID 56607761
9-[heptyl(4-hydroxybutyl)amino]nonanal
CID 170023056
nonyl 5-[2-hydroxyethyl(6-oxohexyl)amino]pentanoate
CID 169189887
N-tetradecyl-N-undecyloctadec-9-enamide
CID 173113706
N,N-di(nonyl)octanamide
CID 533141
5-(didecylamino)pentanal
CID 162037939
N,N,N',N'-tetraoctylhexanediamide
CID 18938545
N,N-dioctyltetradecanamide
CID 169083302

Frequently Asked Questions

What is the IUPAC name of N-hexyl-8-[2-hydroxyethyl(8-oxooctyl)amino]-N-octyloctanamide?
The IUPAC name of N-hexyl-8-[2-hydroxyethyl(8-oxooctyl)amino]-N-octyloctanamide (CID 170224488) is N-hexyl-8-[2-hydroxyethyl(8-oxooctyl)amino]-N-octyloctanamide.
What is the SMILES notation for N-hexyl-8-[2-hydroxyethyl(8-oxooctyl)amino]-N-octyloctanamide?
The canonical SMILES for N-hexyl-8-[2-hydroxyethyl(8-oxooctyl)amino]-N-octyloctanamide is CCCCCCCCN(CCCCCC)C(=O)CCCCCCCN(CCO)CCCCCCCC=O.
What is the InChIKey of N-hexyl-8-[2-hydroxyethyl(8-oxooctyl)amino]-N-octyloctanamide?
The InChIKey is AMGUJJDGIWQOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H64N2O3/c1-3-5-7-9-16-22-28-34(27-21-8-6-4-2)32(37)24-18-13-12-15-20-26-33(29-31-36)25-19-14-10-11-17-23-30-35/h30,36H,3-29,31H2,1-2H3.
What are the key properties of N-hexyl-8-[2-hydroxyethyl(8-oxooctyl)amino]-N-octyloctanamide?
N-hexyl-8-[2-hydroxyethyl(8-oxooctyl)amino]-N-octyloctanamide has a molecular weight of 524.88 g/mol, XLogP of 7.93, 30 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-8-[2-hydroxyethyl(8-oxooctyl)amino]-N-octyloctanamide is sourced from PubChem (CID 170224488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).