hexadecanamide;N-octadecyloctadecanamide

C52H106N2O2 — CID 174792473

IUPAChexadecanamide;N-octadecyloctadecanamide
SMILESCCCCCCCCCCCCCCCC(N)=O.CCCCCCCCCCCCCCCCCCNC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C36H73NO.C16H33NO/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36(38)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h3-35H2,1-2H3,(H,37,38);2-15H2,1H3,(H2,17,18)
InChIKeyZWRRCCPRRYYWBF-UHFFFAOYSA-N
MW791.43 g/mol
LogP17.58
Rot. Bonds47

About hexadecanamide;N-octadecyloctadecanamide

hexadecanamide;N-octadecyloctadecanamide (PubChem CID 174792473) has the molecular formula C52H106N2O2 and a molecular weight of 791.43 g/mol. Its IUPAC name is hexadecanamide;N-octadecyloctadecanamide.

Molecular Properties

Compound Namehexadecanamide;N-octadecyloctadecanamide
PubChem CID174792473
Molecular FormulaC52H106N2O2
Molecular Weight791.43 g/mol
Exact Mass790.83
IUPAC Namehexadecanamide;N-octadecyloctadecanamide
SMILESCCCCCCCCCCCCCCCC(N)=O.CCCCCCCCCCCCCCCCCCNC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C36H73NO.C16H33NO/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36(38)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h3-35H2,1-2H3,(H,37,38);2-15H2,1H3,(H2,17,18)
InChIKeyZWRRCCPRRYYWBF-UHFFFAOYSA-N
XLogP17.58
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds47
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.43
LogP ≤ 517.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-docosyldocosanediamide
CID 91257562
N'-octylhexanediamide
CID 18377759
22-(docosanoylamino)docosanamide
CID 90926402
N'-heptylundecanediamide;propanoic acid
CID 175230905
N'-dodecylbutanediamide
CID 19973702
N'-icosylbutanediamide
CID 175408923
N-(3-amino-3-oxopropyl)octadecanamide
CID 57257667
N-[7-(dodecanoylamino)heptyl]dodecanamide
CID 4580774
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-hexadecylhexanamide
CID 4953738
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069

Frequently Asked Questions

What is the IUPAC name of hexadecanamide;N-octadecyloctadecanamide?
The IUPAC name of hexadecanamide;N-octadecyloctadecanamide (CID 174792473) is hexadecanamide;N-octadecyloctadecanamide.
What is the SMILES notation for hexadecanamide;N-octadecyloctadecanamide?
The canonical SMILES for hexadecanamide;N-octadecyloctadecanamide is CCCCCCCCCCCCCCCC(N)=O.CCCCCCCCCCCCCCCCCCNC(=O)CCCCCCCCCCCCCCCCC.
What is the InChIKey of hexadecanamide;N-octadecyloctadecanamide?
The InChIKey is ZWRRCCPRRYYWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H73NO.C16H33NO/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36(38)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h3-35H2,1-2H3,(H,37,38);2-15H2,1H3,(H2,17,18).
What are the key properties of hexadecanamide;N-octadecyloctadecanamide?
hexadecanamide;N-octadecyloctadecanamide has a molecular weight of 791.43 g/mol, XLogP of 17.58, 47 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecanamide;N-octadecyloctadecanamide is sourced from PubChem (CID 174792473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).