N-(2-methoxy-5-methylphenyl)dodecanamide

C20H33NO2 — CID 4196048

IUPACN-(2-methoxy-5-methylphenyl)dodecanamide
SMILESCCCCCCCCCCCC(=O)Nc1cc(C)ccc1OC
InChIInChI=1S/C20H33NO2/c1-4-5-6-7-8-9-10-11-12-13-20(22)21-18-16-17(2)14-15-19(18)23-3/h14-16H,4-13H2,1-3H3,(H,21,22)
InChIKeyOYHYKLUMGQQTRE-UHFFFAOYSA-N
MW319.49 g/mol
LogP5.86
Rot. Bonds12

About N-(2-methoxy-5-methylphenyl)dodecanamide

N-(2-methoxy-5-methylphenyl)dodecanamide (PubChem CID 4196048) has the molecular formula C20H33NO2 and a molecular weight of 319.49 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)dodecanamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)dodecanamide
PubChem CID4196048
Molecular FormulaC20H33NO2
Molecular Weight319.49 g/mol
Exact Mass319.25
IUPAC NameN-(2-methoxy-5-methylphenyl)dodecanamide
SMILESCCCCCCCCCCCC(=O)Nc1cc(C)ccc1OC
InChIInChI=1S/C20H33NO2/c1-4-5-6-7-8-9-10-11-12-13-20(22)21-18-16-17(2)14-15-19(18)23-3/h14-16H,4-13H2,1-3H3,(H,21,22)
InChIKeyOYHYKLUMGQQTRE-UHFFFAOYSA-N
XLogP5.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.49
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(2-methoxy-5-methylphenyl)pentanediamide
CID 5142107
N-(2,5-dimethoxyphenyl)hexadecanamide
CID 20789890
3-(butylamino)-N-(2-methoxy-5-methylphenyl)propanamide
CID 109012484
N-(5-bromo-2-methoxyphenyl)octanamide
CID 60540438
[2-(hexanoylamino)-4-methylphenyl] hexanoate
CID 175062728
N-(2-methoxy-5-methylphenyl)-4-oxopentanamide
CID 60636995
N-(2-bromo-5-methylphenyl)decanamide
CID 82757665
N-(2-amino-5-methylphenyl)heptanamide
CID 114752035
1-(2-methoxy-5-methylphenyl)undecan-1-one
CID 114968931
N-(2-methoxy-5-methylphenyl)-4-(4-propylphenoxy)butanamide
CID 19191443
4-(2-bromo-4-methylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
CID 19202702
N-(2,5-dimethylphenyl)-4-oxo-4-(2-tetradecanoylhydrazinyl)butanamide
CID 54792025

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)dodecanamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)dodecanamide (CID 4196048) is N-(2-methoxy-5-methylphenyl)dodecanamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)dodecanamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)dodecanamide is CCCCCCCCCCCC(=O)Nc1cc(C)ccc1OC.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)dodecanamide?
The InChIKey is OYHYKLUMGQQTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO2/c1-4-5-6-7-8-9-10-11-12-13-20(22)21-18-16-17(2)14-15-19(18)23-3/h14-16H,4-13H2,1-3H3,(H,21,22).
What are the key properties of N-(2-methoxy-5-methylphenyl)dodecanamide?
N-(2-methoxy-5-methylphenyl)dodecanamide has a molecular weight of 319.49 g/mol, XLogP of 5.86, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)dodecanamide is sourced from PubChem (CID 4196048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).