N-(3,4-dimethylphenyl)dodecanamide

C20H33NO — CID 4067786

IUPACN-(3,4-dimethylphenyl)dodecanamide
SMILESCCCCCCCCCCCC(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C20H33NO/c1-4-5-6-7-8-9-10-11-12-13-20(22)21-19-15-14-17(2)18(3)16-19/h14-16H,4-13H2,1-3H3,(H,21,22)
InChIKeySZCQVJQWZZOKHI-UHFFFAOYSA-N
MW303.49 g/mol
LogP6.16
Rot. Bonds11

About N-(3,4-dimethylphenyl)dodecanamide

N-(3,4-dimethylphenyl)dodecanamide (PubChem CID 4067786) has the molecular formula C20H33NO and a molecular weight of 303.49 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)dodecanamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)dodecanamide
PubChem CID4067786
Molecular FormulaC20H33NO
Molecular Weight303.49 g/mol
Exact Mass303.26
IUPAC NameN-(3,4-dimethylphenyl)dodecanamide
SMILESCCCCCCCCCCCC(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C20H33NO/c1-4-5-6-7-8-9-10-11-12-13-20(22)21-19-15-14-17(2)18(3)16-19/h14-16H,4-13H2,1-3H3,(H,21,22)
InChIKeySZCQVJQWZZOKHI-UHFFFAOYSA-N
XLogP6.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.49
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxy-3-methylphenyl)tetradecanamide
CID 91054297
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]heptanamide
CID 54790569
N-(3,4-dimethylphenyl)-N'-[(E)-heptan-2-ylideneamino]butanediamide
CID 54784789
N-(3,4-dimethylphenyl)-4-(methylamino)butanamide
CID 60842744
2-(butylamino)-N-(3,4-dimethylphenyl)acetamide
CID 54815382
N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]octanamide
CID 60803124
N-(3-butyl-4-hydroxyphenyl)tetradecanamide
CID 142641305
N,N'-bis(3-chloro-4-methylphenyl)decanediamide
CID 23010647
N-[[4-(3,4-dimethylanilino)-4-oxobutan-2-ylidene]amino]pentanamide
CID 3923948
N-[2-methyl-5-(tetradecanoylamino)phenyl]cyclopropanecarboxamide
CID 54791838
N-(3,4-dimethylphenyl)-3-(dipropylamino)propanamide
CID 109033116

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)dodecanamide?
The IUPAC name of N-(3,4-dimethylphenyl)dodecanamide (CID 4067786) is N-(3,4-dimethylphenyl)dodecanamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)dodecanamide?
The canonical SMILES for N-(3,4-dimethylphenyl)dodecanamide is CCCCCCCCCCCC(=O)Nc1ccc(C)c(C)c1.
What is the InChIKey of N-(3,4-dimethylphenyl)dodecanamide?
The InChIKey is SZCQVJQWZZOKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO/c1-4-5-6-7-8-9-10-11-12-13-20(22)21-19-15-14-17(2)18(3)16-19/h14-16H,4-13H2,1-3H3,(H,21,22).
What are the key properties of N-(3,4-dimethylphenyl)dodecanamide?
N-(3,4-dimethylphenyl)dodecanamide has a molecular weight of 303.49 g/mol, XLogP of 6.16, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)dodecanamide is sourced from PubChem (CID 4067786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).