N-(13-hydroxy-3-pentyltridecyl)tetradecanamide

C32H65NO2 — CID 18542093

IUPACN-(13-hydroxy-3-pentyltridecyl)tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)NCCC(CCCCC)CCCCCCCCCCO
InChIInChI=1S/C32H65NO2/c1-3-5-7-8-9-10-11-12-16-19-23-27-32(35)33-29-28-31(25-21-6-4-2)26-22-18-15-13-14-17-20-24-30-34/h31,34H,3-30H2,1-2H3,(H,33,35)
InChIKeyUTYBLNQXXUETKV-UHFFFAOYSA-N
MW495.88 g/mol
LogP9.89
Rot. Bonds29

About N-(13-hydroxy-3-pentyltridecyl)tetradecanamide

N-(13-hydroxy-3-pentyltridecyl)tetradecanamide (PubChem CID 18542093) has the molecular formula C32H65NO2 and a molecular weight of 495.88 g/mol. Its IUPAC name is N-(13-hydroxy-3-pentyltridecyl)tetradecanamide.

Molecular Properties

Compound NameN-(13-hydroxy-3-pentyltridecyl)tetradecanamide
PubChem CID18542093
Molecular FormulaC32H65NO2
Molecular Weight495.88 g/mol
Exact Mass495.50
IUPAC NameN-(13-hydroxy-3-pentyltridecyl)tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)NCCC(CCCCC)CCCCCCCCCCO
InChIInChI=1S/C32H65NO2/c1-3-5-7-8-9-10-11-12-16-19-23-27-32(35)33-29-28-31(25-21-6-4-2)26-22-18-15-13-14-17-20-24-30-34/h31,34H,3-30H2,1-2H3,(H,33,35)
InChIKeyUTYBLNQXXUETKV-UHFFFAOYSA-N
XLogP9.89
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds29
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.88
LogP ≤ 59.89
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-(3-hydroxypropyl)docosanamide
CID 87200048
4,7-bis[3-oxo-3-(tetradecylamino)propyl]-N,N'-di(tetradecyl)decanediamide;N,N'-di(tetradecyl)decanediamide;4-[3-oxo-3-(tetradecylamino)propyl]-N,N'-di(tetradecyl)decanediamide;4-propyl-N,N'-di(tetradecyl)heptanediamide;N-tetradecylheptanamide
CID 123155920
N-butyl-6-hydroxyhexanamide;ethane
CID 145076581
N-(2-hydroxyethyl)heptadecanamide
CID 14455158
N-(2-hydroxyethyl)pentacosanamide
CID 14455162
4-hydroxy-N-tetracosylbutanamide
CID 141048355
N-heptadecyl-4-hydroxybutanamide
CID 100934326
N-[2-(heptadecanoylamino)ethyl]heptadecanamide
CID 22065407
5-decylheptadecan-1-ol
CID 171774120
11-octylicosan-1-ol
CID 162349984

Frequently Asked Questions

What is the IUPAC name of N-(13-hydroxy-3-pentyltridecyl)tetradecanamide?
The IUPAC name of N-(13-hydroxy-3-pentyltridecyl)tetradecanamide (CID 18542093) is N-(13-hydroxy-3-pentyltridecyl)tetradecanamide.
What is the SMILES notation for N-(13-hydroxy-3-pentyltridecyl)tetradecanamide?
The canonical SMILES for N-(13-hydroxy-3-pentyltridecyl)tetradecanamide is CCCCCCCCCCCCCC(=O)NCCC(CCCCC)CCCCCCCCCCO.
What is the InChIKey of N-(13-hydroxy-3-pentyltridecyl)tetradecanamide?
The InChIKey is UTYBLNQXXUETKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H65NO2/c1-3-5-7-8-9-10-11-12-16-19-23-27-32(35)33-29-28-31(25-21-6-4-2)26-22-18-15-13-14-17-20-24-30-34/h31,34H,3-30H2,1-2H3,(H,33,35).
What are the key properties of N-(13-hydroxy-3-pentyltridecyl)tetradecanamide?
N-(13-hydroxy-3-pentyltridecyl)tetradecanamide has a molecular weight of 495.88 g/mol, XLogP of 9.89, 29 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(13-hydroxy-3-pentyltridecyl)tetradecanamide is sourced from PubChem (CID 18542093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).