N-hexadecyl-N-hydroxyoctadecanamide

C34H69NO2 — CID 150697655

IUPACN-hexadecyl-N-hydroxyoctadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)N(O)CCCCCCCCCCCCCCCC
InChIInChI=1S/C34H69NO2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34(36)35(37)33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h37H,3-33H2,1-2H3
InChIKeyJLEMGPNISTYFHW-UHFFFAOYSA-N
MW523.93 g/mol
LogP11.95
Rot. Bonds31

About N-hexadecyl-N-hydroxyoctadecanamide

N-hexadecyl-N-hydroxyoctadecanamide (PubChem CID 150697655) has the molecular formula C34H69NO2 and a molecular weight of 523.93 g/mol. Its IUPAC name is N-hexadecyl-N-hydroxyoctadecanamide.

Molecular Properties

Compound NameN-hexadecyl-N-hydroxyoctadecanamide
PubChem CID150697655
Molecular FormulaC34H69NO2
Molecular Weight523.93 g/mol
Exact Mass523.53
IUPAC NameN-hexadecyl-N-hydroxyoctadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)N(O)CCCCCCCCCCCCCCCC
InChIInChI=1S/C34H69NO2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34(36)35(37)33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h37H,3-33H2,1-2H3
InChIKeyJLEMGPNISTYFHW-UHFFFAOYSA-N
XLogP11.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds31
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.93
LogP ≤ 511.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[hydroxy(tetradecyl)amino]-4-oxobutanoic acid
CID 174789202
N,N,N',N'-tetraoctylhexanediamide
CID 18938545
N-bromo-N-hydroxyheptatriacontanamide
CID 87686971
N,N-di(nonyl)octanamide
CID 533141
N-bromo-N-hydroxytetradecanamide
CID 87684693
N-bromo-N-hydroxynonacosanamide
CID 87682957
N,N-dioctyltetradecanamide
CID 169083302
N-methyl-N-octylnonanamide
CID 140654825
N-methyl-N-octylheptacosanamide
CID 87394998
N-butyl-N-octyldecanamide
CID 18913402
N-[2-[di(hexadecanoyl)amino]ethyl]-N-octadecanoyloctadecanamide
CID 88723391
N-hydroxy-N-methyloctadecanamide
CID 19818891

Frequently Asked Questions

What is the IUPAC name of N-hexadecyl-N-hydroxyoctadecanamide?
The IUPAC name of N-hexadecyl-N-hydroxyoctadecanamide (CID 150697655) is N-hexadecyl-N-hydroxyoctadecanamide.
What is the SMILES notation for N-hexadecyl-N-hydroxyoctadecanamide?
The canonical SMILES for N-hexadecyl-N-hydroxyoctadecanamide is CCCCCCCCCCCCCCCCCC(=O)N(O)CCCCCCCCCCCCCCCC.
What is the InChIKey of N-hexadecyl-N-hydroxyoctadecanamide?
The InChIKey is JLEMGPNISTYFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H69NO2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34(36)35(37)33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h37H,3-33H2,1-2H3.
What are the key properties of N-hexadecyl-N-hydroxyoctadecanamide?
N-hexadecyl-N-hydroxyoctadecanamide has a molecular weight of 523.93 g/mol, XLogP of 11.95, 31 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexadecyl-N-hydroxyoctadecanamide is sourced from PubChem (CID 150697655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).