N-(4-hydroxy-2,3,5-trimethylphenyl)undecanamide

C20H33NO2 — CID 19788174

IUPACN-(4-hydroxy-2,3,5-trimethylphenyl)undecanamide
SMILESCCCCCCCCCCC(=O)Nc1cc(C)c(O)c(C)c1C
InChIInChI=1S/C20H33NO2/c1-5-6-7-8-9-10-11-12-13-19(22)21-18-14-15(2)20(23)17(4)16(18)3/h14,23H,5-13H2,1-4H3,(H,21,22)
InChIKeyLBCFAGDQAHBESU-UHFFFAOYSA-N
MW319.49 g/mol
LogP5.79
Rot. Bonds10

About N-(4-hydroxy-2,3,5-trimethylphenyl)undecanamide

N-(4-hydroxy-2,3,5-trimethylphenyl)undecanamide (PubChem CID 19788174) has the molecular formula C20H33NO2 and a molecular weight of 319.49 g/mol. Its IUPAC name is N-(4-hydroxy-2,3,5-trimethylphenyl)undecanamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,3,5-trimethylphenyl)undecanamide
PubChem CID19788174
Molecular FormulaC20H33NO2
Molecular Weight319.49 g/mol
Exact Mass319.25
IUPAC NameN-(4-hydroxy-2,3,5-trimethylphenyl)undecanamide
SMILESCCCCCCCCCCC(=O)Nc1cc(C)c(O)c(C)c1C
InChIInChI=1S/C20H33NO2/c1-5-6-7-8-9-10-11-12-13-19(22)21-18-14-15(2)20(23)17(4)16(18)3/h14,23H,5-13H2,1-4H3,(H,21,22)
InChIKeyLBCFAGDQAHBESU-UHFFFAOYSA-N
XLogP5.79
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.49
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxy-2,3,5-trimethylphenyl)octadeca-6,9,12-trienamide
CID 57260775
N-(2-hydroxy-4,5-dimethylphenyl)tetradecanamide
CID 20778606
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)octadecanamide
CID 154397523
N-(2,5-dihydroxy-3,4,6-trimethylphenyl)undecanamide
CID 19788212
N-[4-[4-(heptanoylamino)-3-methylphenyl]-2-methylphenyl]heptanamide
CID 4180295
N-(3-hydroxy-2-methylphenyl)decanamide
CID 65426726
N-(2,3-dimethylphenyl)dodecanamide
CID 4198682
4-methyl-3-(octadecanoylamino)benzoic acid
CID 12800027
4-(henicosanoylamino)-3-methylbenzoic acid
CID 12800016
N-(3,5-dichloro-2-hydroxyphenyl)decanamide
CID 107675883
N-(5-chloro-2-methylphenyl)decanamide
CID 5144260
N-(4-bromo-2-methylphenyl)octanamide
CID 4582485

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,3,5-trimethylphenyl)undecanamide?
The IUPAC name of N-(4-hydroxy-2,3,5-trimethylphenyl)undecanamide (CID 19788174) is N-(4-hydroxy-2,3,5-trimethylphenyl)undecanamide.
What is the SMILES notation for N-(4-hydroxy-2,3,5-trimethylphenyl)undecanamide?
The canonical SMILES for N-(4-hydroxy-2,3,5-trimethylphenyl)undecanamide is CCCCCCCCCCC(=O)Nc1cc(C)c(O)c(C)c1C.
What is the InChIKey of N-(4-hydroxy-2,3,5-trimethylphenyl)undecanamide?
The InChIKey is LBCFAGDQAHBESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO2/c1-5-6-7-8-9-10-11-12-13-19(22)21-18-14-15(2)20(23)17(4)16(18)3/h14,23H,5-13H2,1-4H3,(H,21,22).
What are the key properties of N-(4-hydroxy-2,3,5-trimethylphenyl)undecanamide?
N-(4-hydroxy-2,3,5-trimethylphenyl)undecanamide has a molecular weight of 319.49 g/mol, XLogP of 5.79, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,3,5-trimethylphenyl)undecanamide is sourced from PubChem (CID 19788174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).