N-(2,5-dihydroxy-3,4,6-trimethylphenyl)undecanamide

C20H33NO3 — CID 19788212

IUPACN-(2,5-dihydroxy-3,4,6-trimethylphenyl)undecanamide
SMILESCCCCCCCCCCC(=O)Nc1c(C)c(O)c(C)c(C)c1O
InChIInChI=1S/C20H33NO3/c1-5-6-7-8-9-10-11-12-13-17(22)21-18-16(4)19(23)14(2)15(3)20(18)24/h23-24H,5-13H2,1-4H3,(H,21,22)
InChIKeyNFWVGGIQDISBGO-UHFFFAOYSA-N
MW335.49 g/mol
LogP5.49
Rot. Bonds10

About N-(2,5-dihydroxy-3,4,6-trimethylphenyl)undecanamide

N-(2,5-dihydroxy-3,4,6-trimethylphenyl)undecanamide (PubChem CID 19788212) has the molecular formula C20H33NO3 and a molecular weight of 335.49 g/mol. Its IUPAC name is N-(2,5-dihydroxy-3,4,6-trimethylphenyl)undecanamide.

Molecular Properties

Compound NameN-(2,5-dihydroxy-3,4,6-trimethylphenyl)undecanamide
PubChem CID19788212
Molecular FormulaC20H33NO3
Molecular Weight335.49 g/mol
Exact Mass335.25
IUPAC NameN-(2,5-dihydroxy-3,4,6-trimethylphenyl)undecanamide
SMILESCCCCCCCCCCC(=O)Nc1c(C)c(O)c(C)c(C)c1O
InChIInChI=1S/C20H33NO3/c1-5-6-7-8-9-10-11-12-13-17(22)21-18-16(4)19(23)14(2)15(3)20(18)24/h23-24H,5-13H2,1-4H3,(H,21,22)
InChIKeyNFWVGGIQDISBGO-UHFFFAOYSA-N
XLogP5.49
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.49
LogP ≤ 55.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2,3,5,6-tetramethyl-4-(undecanoylamino)phenyl]undecanamide
CID 100965559
N-(2,5-dihydroxy-3,4-dimethoxy-6-methylphenyl)hexadecanamide
CID 19788185
N-(2,5-dihydroxy-3,4-dimethoxy-6-methylphenyl)octadecanamide
CID 19788230
N-[2-(decanoylamino)-3,4,5,6-tetramethylphenyl]decanamide
CID 101068768
N-(4-hydroxy-2,3,5-trimethylphenyl)undecanamide
CID 19788174
N-[2,3,4,5-tetramethyl-6-(pentanoylamino)phenyl]pentanamide
CID 101068763
N-(2,3,4,5,6-pentafluorophenyl)undecanamide
CID 3554716
N-(2,6-dimethylphenyl)tetradecanamide
CID 54789598
N-(3-amino-2,6-dimethylphenyl)decanamide
CID 65448531
N-decanoyldecanamide
CID 87914075
N-(3-hydroxy-2-methylphenyl)decanamide
CID 65426726
N-octanoyloctanamide;hydrobromide
CID 175059894

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dihydroxy-3,4,6-trimethylphenyl)undecanamide?
The IUPAC name of N-(2,5-dihydroxy-3,4,6-trimethylphenyl)undecanamide (CID 19788212) is N-(2,5-dihydroxy-3,4,6-trimethylphenyl)undecanamide.
What is the SMILES notation for N-(2,5-dihydroxy-3,4,6-trimethylphenyl)undecanamide?
The canonical SMILES for N-(2,5-dihydroxy-3,4,6-trimethylphenyl)undecanamide is CCCCCCCCCCC(=O)Nc1c(C)c(O)c(C)c(C)c1O.
What is the InChIKey of N-(2,5-dihydroxy-3,4,6-trimethylphenyl)undecanamide?
The InChIKey is NFWVGGIQDISBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO3/c1-5-6-7-8-9-10-11-12-13-17(22)21-18-16(4)19(23)14(2)15(3)20(18)24/h23-24H,5-13H2,1-4H3,(H,21,22).
What are the key properties of N-(2,5-dihydroxy-3,4,6-trimethylphenyl)undecanamide?
N-(2,5-dihydroxy-3,4,6-trimethylphenyl)undecanamide has a molecular weight of 335.49 g/mol, XLogP of 5.49, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dihydroxy-3,4,6-trimethylphenyl)undecanamide is sourced from PubChem (CID 19788212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).