18-hydroxy-N-octadecyloctadecanamide

C36H73NO2 — CID 10984479

IUPAC18-hydroxy-N-octadecyloctadecanamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)CCCCCCCCCCCCCCCCCO
InChIInChI=1S/C36H73NO2/c1-2-3-4-5-6-7-8-9-10-13-16-19-22-25-28-31-34-37-36(39)33-30-27-24-21-18-15-12-11-14-17-20-23-26-29-32-35-38/h38H,2-35H2,1H3,(H,37,39)
InChIKeyDVGVMMLAPWVBLM-UHFFFAOYSA-N
MW551.99 g/mol
LogP11.60
Rot. Bonds34

About 18-hydroxy-N-octadecyloctadecanamide

18-hydroxy-N-octadecyloctadecanamide (PubChem CID 10984479) has the molecular formula C36H73NO2 and a molecular weight of 551.99 g/mol. Its IUPAC name is 18-hydroxy-N-octadecyloctadecanamide.

Molecular Properties

Compound Name18-hydroxy-N-octadecyloctadecanamide
PubChem CID10984479
Molecular FormulaC36H73NO2
Molecular Weight551.99 g/mol
Exact Mass551.56
IUPAC Name18-hydroxy-N-octadecyloctadecanamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)CCCCCCCCCCCCCCCCCO
InChIInChI=1S/C36H73NO2/c1-2-3-4-5-6-7-8-9-10-13-16-19-22-25-28-31-34-37-36(39)33-30-27-24-21-18-15-12-11-14-17-20-23-26-29-32-35-38/h38H,2-35H2,1H3,(H,37,39)
InChIKeyDVGVMMLAPWVBLM-UHFFFAOYSA-N
XLogP11.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds34
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.99
LogP ≤ 511.60
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

6-hydroxy-N-tetradecylhexanamide
CID 20542961
N-heptadecyl-4-hydroxybutanamide
CID 100934326
4-hydroxy-N-tetracosylbutanamide
CID 141048355
N-(3-hydroxypropyl)docosanamide
CID 87200048
N-butyl-6-hydroxyhexanamide;ethane
CID 145076581
N-[8-(heptanoylamino)octyl]heptanamide
CID 3252783
N-octadecyloctanamide
CID 5161729
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558

Frequently Asked Questions

What is the IUPAC name of 18-hydroxy-N-octadecyloctadecanamide?
The IUPAC name of 18-hydroxy-N-octadecyloctadecanamide (CID 10984479) is 18-hydroxy-N-octadecyloctadecanamide.
What is the SMILES notation for 18-hydroxy-N-octadecyloctadecanamide?
The canonical SMILES for 18-hydroxy-N-octadecyloctadecanamide is CCCCCCCCCCCCCCCCCCNC(=O)CCCCCCCCCCCCCCCCCO.
What is the InChIKey of 18-hydroxy-N-octadecyloctadecanamide?
The InChIKey is DVGVMMLAPWVBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H73NO2/c1-2-3-4-5-6-7-8-9-10-13-16-19-22-25-28-31-34-37-36(39)33-30-27-24-21-18-15-12-11-14-17-20-23-26-29-32-35-38/h38H,2-35H2,1H3,(H,37,39).
What are the key properties of 18-hydroxy-N-octadecyloctadecanamide?
18-hydroxy-N-octadecyloctadecanamide has a molecular weight of 551.99 g/mol, XLogP of 11.60, 34 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 18-hydroxy-N-octadecyloctadecanamide is sourced from PubChem (CID 10984479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).