4-hydroxy-N-tetracosylbutanamide

C28H57NO2 — CID 141048355

IUPAC4-hydroxy-N-tetracosylbutanamide
SMILESCCCCCCCCCCCCCCCCCCCCCCCCNC(=O)CCCO
InChIInChI=1S/C28H57NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-29-28(31)25-24-27-30/h30H,2-27H2,1H3,(H,29,31)
InChIKeyATTYWVDJVHBPOY-UHFFFAOYSA-N
MW439.77 g/mol
LogP8.48
Rot. Bonds26

About 4-hydroxy-N-tetracosylbutanamide

4-hydroxy-N-tetracosylbutanamide (PubChem CID 141048355) has the molecular formula C28H57NO2 and a molecular weight of 439.77 g/mol. Its IUPAC name is 4-hydroxy-N-tetracosylbutanamide.

Molecular Properties

Compound Name4-hydroxy-N-tetracosylbutanamide
PubChem CID141048355
Molecular FormulaC28H57NO2
Molecular Weight439.77 g/mol
Exact Mass439.44
IUPAC Name4-hydroxy-N-tetracosylbutanamide
SMILESCCCCCCCCCCCCCCCCCCCCCCCCNC(=O)CCCO
InChIInChI=1S/C28H57NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-29-28(31)25-24-27-30/h30H,2-27H2,1H3,(H,29,31)
InChIKeyATTYWVDJVHBPOY-UHFFFAOYSA-N
XLogP8.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds26
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

N-heptadecyl-4-hydroxybutanamide
CID 100934326
6-hydroxy-N-tetradecylhexanamide
CID 20542961
18-hydroxy-N-octadecyloctadecanamide
CID 10984479
N-(3-hydroxypropyl)docosanamide
CID 87200048
3-hydroxy-N-pentadecylpropanamide
CID 11055663
N'-heptyl-N-hexylpentanediamide
CID 154688669
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-tetracosylbutanamide?
The IUPAC name of 4-hydroxy-N-tetracosylbutanamide (CID 141048355) is 4-hydroxy-N-tetracosylbutanamide.
What is the SMILES notation for 4-hydroxy-N-tetracosylbutanamide?
The canonical SMILES for 4-hydroxy-N-tetracosylbutanamide is CCCCCCCCCCCCCCCCCCCCCCCCNC(=O)CCCO.
What is the InChIKey of 4-hydroxy-N-tetracosylbutanamide?
The InChIKey is ATTYWVDJVHBPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H57NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-29-28(31)25-24-27-30/h30H,2-27H2,1H3,(H,29,31).
What are the key properties of 4-hydroxy-N-tetracosylbutanamide?
4-hydroxy-N-tetracosylbutanamide has a molecular weight of 439.77 g/mol, XLogP of 8.48, 26 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-tetracosylbutanamide is sourced from PubChem (CID 141048355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).