N-(2-hydroxy-4,5-dimethylphenyl)tetradecanamide

C22H37NO2 — CID 20778606

IUPACN-(2-hydroxy-4,5-dimethylphenyl)tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)Nc1cc(C)c(C)cc1O
InChIInChI=1S/C22H37NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-22(25)23-20-16-18(2)19(3)17-21(20)24/h16-17,24H,4-15H2,1-3H3,(H,23,25)
InChIKeyMZYCAOVAGWCHBY-UHFFFAOYSA-N
MW347.54 g/mol
LogP6.65
Rot. Bonds13

About N-(2-hydroxy-4,5-dimethylphenyl)tetradecanamide

N-(2-hydroxy-4,5-dimethylphenyl)tetradecanamide (PubChem CID 20778606) has the molecular formula C22H37NO2 and a molecular weight of 347.54 g/mol. Its IUPAC name is N-(2-hydroxy-4,5-dimethylphenyl)tetradecanamide.

Molecular Properties

Compound NameN-(2-hydroxy-4,5-dimethylphenyl)tetradecanamide
PubChem CID20778606
Molecular FormulaC22H37NO2
Molecular Weight347.54 g/mol
Exact Mass347.28
IUPAC NameN-(2-hydroxy-4,5-dimethylphenyl)tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)Nc1cc(C)c(C)cc1O
InChIInChI=1S/C22H37NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-22(25)23-20-16-18(2)19(3)17-21(20)24/h16-17,24H,4-15H2,1-3H3,(H,23,25)
InChIKeyMZYCAOVAGWCHBY-UHFFFAOYSA-N
XLogP6.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.54
LogP ≤ 56.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze N-(2-hydroxy-4,5-dimethylphenyl)tetradecanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-hydroxy-2,3,5-trimethylphenyl)undecanamide
CID 19788174
N-[4-[4-(heptanoylamino)-3-methylphenyl]-2-methylphenyl]heptanamide
CID 4180295
N-(3-hydroxy-2-methylphenyl)decanamide
CID 65426726
N-(5-tert-butyl-2-hydroxyphenyl)tetradecanamide
CID 58819419
N-(4-hydroxy-3-methylphenyl)tetradecanamide
CID 91054297
N-(2-hydroxy-5-phenylphenyl)octanamide
CID 155558351
N-(3,4-dimethylphenyl)dodecanamide
CID 4067786
N-(4-bromo-2-methylphenyl)octanamide
CID 4582485
N-(5-chloro-2-methylphenyl)decanamide
CID 5144260
N-(2,7-dihydroxy-4-methyl-2H-chromen-6-yl)hexadecanamide
CID 129203034
N-(4-hydroxy-2,3,5-trimethylphenyl)octadeca-6,9,12-trienamide
CID 57260775
N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]octanamide
CID 60803826

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4,5-dimethylphenyl)tetradecanamide?
The IUPAC name of N-(2-hydroxy-4,5-dimethylphenyl)tetradecanamide (CID 20778606) is N-(2-hydroxy-4,5-dimethylphenyl)tetradecanamide.
What is the SMILES notation for N-(2-hydroxy-4,5-dimethylphenyl)tetradecanamide?
The canonical SMILES for N-(2-hydroxy-4,5-dimethylphenyl)tetradecanamide is CCCCCCCCCCCCCC(=O)Nc1cc(C)c(C)cc1O.
What is the InChIKey of N-(2-hydroxy-4,5-dimethylphenyl)tetradecanamide?
The InChIKey is MZYCAOVAGWCHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-22(25)23-20-16-18(2)19(3)17-21(20)24/h16-17,24H,4-15H2,1-3H3,(H,23,25).
What are the key properties of N-(2-hydroxy-4,5-dimethylphenyl)tetradecanamide?
N-(2-hydroxy-4,5-dimethylphenyl)tetradecanamide has a molecular weight of 347.54 g/mol, XLogP of 6.65, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4,5-dimethylphenyl)tetradecanamide is sourced from PubChem (CID 20778606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).