N-(3-hydroxypropyl)docosanamide

C25H51NO2 — CID 87200048

IUPACN-(3-hydroxypropyl)docosanamide
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)NCCCO
InChIInChI=1S/C25H51NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25(28)26-23-21-24-27/h27H,2-24H2,1H3,(H,26,28)
InChIKeyMPFAZCIVAYYJPJ-UHFFFAOYSA-N
MW397.69 g/mol
LogP7.31
Rot. Bonds23

About N-(3-hydroxypropyl)docosanamide

N-(3-hydroxypropyl)docosanamide (PubChem CID 87200048) has the molecular formula C25H51NO2 and a molecular weight of 397.69 g/mol. Its IUPAC name is N-(3-hydroxypropyl)docosanamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)docosanamide
PubChem CID87200048
Molecular FormulaC25H51NO2
Molecular Weight397.69 g/mol
Exact Mass397.39
IUPAC NameN-(3-hydroxypropyl)docosanamide
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)NCCCO
InChIInChI=1S/C25H51NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25(28)26-23-21-24-27/h27H,2-24H2,1H3,(H,26,28)
InChIKeyMPFAZCIVAYYJPJ-UHFFFAOYSA-N
XLogP7.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.69
LogP ≤ 57.31
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
18-hydroxy-N-octadecyloctadecanamide
CID 10984479
N-heptadecyl-4-hydroxybutanamide
CID 100934326
4-hydroxy-N-tetracosylbutanamide
CID 141048355
N-butyl-6-hydroxyhexanamide;ethane
CID 145076581
N-(2-hydroxyethyl)heptadecanamide
CID 14455158
N-(2-hydroxyethyl)pentacosanamide
CID 14455162
N-hexadecylhexanamide
CID 4953738
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)docosanamide?
The IUPAC name of N-(3-hydroxypropyl)docosanamide (CID 87200048) is N-(3-hydroxypropyl)docosanamide.
What is the SMILES notation for N-(3-hydroxypropyl)docosanamide?
The canonical SMILES for N-(3-hydroxypropyl)docosanamide is CCCCCCCCCCCCCCCCCCCCCC(=O)NCCCO.
What is the InChIKey of N-(3-hydroxypropyl)docosanamide?
The InChIKey is MPFAZCIVAYYJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H51NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25(28)26-23-21-24-27/h27H,2-24H2,1H3,(H,26,28).
What are the key properties of N-(3-hydroxypropyl)docosanamide?
N-(3-hydroxypropyl)docosanamide has a molecular weight of 397.69 g/mol, XLogP of 7.31, 23 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)docosanamide is sourced from PubChem (CID 87200048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).