N-(16-hydroxyoctadecyl)decanamide

C28H57NO2 — CID 90886549

IUPACN-(16-hydroxyoctadecyl)decanamide
SMILESCCCCCCCCCC(=O)NCCCCCCCCCCCCCCCC(O)CC
InChIInChI=1S/C28H57NO2/c1-3-5-6-7-15-19-22-25-28(31)29-26-23-20-17-14-12-10-8-9-11-13-16-18-21-24-27(30)4-2/h27,30H,3-26H2,1-2H3,(H,29,31)
InChIKeyIKEFEPOFPOIIPE-UHFFFAOYSA-N
MW439.77 g/mol
LogP8.48
Rot. Bonds25

About N-(16-hydroxyoctadecyl)decanamide

N-(16-hydroxyoctadecyl)decanamide (PubChem CID 90886549) has the molecular formula C28H57NO2 and a molecular weight of 439.77 g/mol. Its IUPAC name is N-(16-hydroxyoctadecyl)decanamide.

Molecular Properties

Compound NameN-(16-hydroxyoctadecyl)decanamide
PubChem CID90886549
Molecular FormulaC28H57NO2
Molecular Weight439.77 g/mol
Exact Mass439.44
IUPAC NameN-(16-hydroxyoctadecyl)decanamide
SMILESCCCCCCCCCC(=O)NCCCCCCCCCCCCCCCC(O)CC
InChIInChI=1S/C28H57NO2/c1-3-5-6-7-15-19-22-25-28(31)29-26-23-20-17-14-12-10-8-9-11-13-16-18-21-24-27(30)4-2/h27,30H,3-26H2,1-2H3,(H,29,31)
InChIKeyIKEFEPOFPOIIPE-UHFFFAOYSA-N
XLogP8.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds25
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.77
LogP ≤ 58.48
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

7-hydroxy-N-octadecyloctadecanamide
CID 57160535
7-hydroxy-N-[2-(7-hydroxyoctadecanoylamino)ethyl]octadecanamide
CID 57266771
N-[8-(heptanoylamino)octyl]heptanamide
CID 3252783
N-octadecyloctanamide
CID 5161729
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-nonyltridecanamide
CID 154228217
N-pentylicosanamide
CID 139961886
N-tetradecyloctanamide
CID 151737522

Frequently Asked Questions

What is the IUPAC name of N-(16-hydroxyoctadecyl)decanamide?
The IUPAC name of N-(16-hydroxyoctadecyl)decanamide (CID 90886549) is N-(16-hydroxyoctadecyl)decanamide.
What is the SMILES notation for N-(16-hydroxyoctadecyl)decanamide?
The canonical SMILES for N-(16-hydroxyoctadecyl)decanamide is CCCCCCCCCC(=O)NCCCCCCCCCCCCCCCC(O)CC.
What is the InChIKey of N-(16-hydroxyoctadecyl)decanamide?
The InChIKey is IKEFEPOFPOIIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H57NO2/c1-3-5-6-7-15-19-22-25-28(31)29-26-23-20-17-14-12-10-8-9-11-13-16-18-21-24-27(30)4-2/h27,30H,3-26H2,1-2H3,(H,29,31).
What are the key properties of N-(16-hydroxyoctadecyl)decanamide?
N-(16-hydroxyoctadecyl)decanamide has a molecular weight of 439.77 g/mol, XLogP of 8.48, 25 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(16-hydroxyoctadecyl)decanamide is sourced from PubChem (CID 90886549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).