N-(2,6-dimethylphenyl)tetradecanamide

C22H37NO — CID 54789598

IUPACN-(2,6-dimethylphenyl)tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C22H37NO/c1-4-5-6-7-8-9-10-11-12-13-14-18-21(24)23-22-19(2)16-15-17-20(22)3/h15-17H,4-14,18H2,1-3H3,(H,23,24)
InChIKeyNOGPMMYSWWCSRI-UHFFFAOYSA-N
MW331.54 g/mol
LogP6.94
Rot. Bonds13

About N-(2,6-dimethylphenyl)tetradecanamide

N-(2,6-dimethylphenyl)tetradecanamide (PubChem CID 54789598) has the molecular formula C22H37NO and a molecular weight of 331.54 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)tetradecanamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)tetradecanamide
PubChem CID54789598
Molecular FormulaC22H37NO
Molecular Weight331.54 g/mol
Exact Mass331.29
IUPAC NameN-(2,6-dimethylphenyl)tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C22H37NO/c1-4-5-6-7-8-9-10-11-12-13-14-18-21(24)23-22-19(2)16-15-17-20(22)3/h15-17H,4-14,18H2,1-3H3,(H,23,24)
InChIKeyNOGPMMYSWWCSRI-UHFFFAOYSA-N
XLogP6.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.54
LogP ≤ 56.94
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-(2-ethyl-6-methylphenyl)tetradecanamide
CID 54789893
2-(hexadecanoylamino)-3-methylbenzoic acid
CID 12800042
N-(2-methyl-6-propan-2-ylphenyl)decanamide
CID 3411920
4-(decanoylamino)-N-(2,6-dimethylphenyl)benzamide
CID 3669912
N-(2,3-dimethylphenyl)dodecanamide
CID 4198682
N-(2,6-dichlorophenyl)decanamide
CID 3269237
N-(3-amino-2,6-dimethylphenyl)decanamide
CID 65448531
N-[2,3,5,6-tetramethyl-4-(undecanoylamino)phenyl]undecanamide
CID 100965559
N-[2-(decanoylamino)-3,4,5,6-tetramethylphenyl]decanamide
CID 101068768
N-(2,6-dimethylphenyl)-3-hydroxypropanamide
CID 82112001
N-(2,6-dimethylphenyl)-3-(propylamino)propanamide
CID 59981693
N'-(2,6-dimethylphenyl)-N-propylbutanediamide
CID 71979821

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)tetradecanamide?
The IUPAC name of N-(2,6-dimethylphenyl)tetradecanamide (CID 54789598) is N-(2,6-dimethylphenyl)tetradecanamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)tetradecanamide?
The canonical SMILES for N-(2,6-dimethylphenyl)tetradecanamide is CCCCCCCCCCCCCC(=O)Nc1c(C)cccc1C.
What is the InChIKey of N-(2,6-dimethylphenyl)tetradecanamide?
The InChIKey is NOGPMMYSWWCSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37NO/c1-4-5-6-7-8-9-10-11-12-13-14-18-21(24)23-22-19(2)16-15-17-20(22)3/h15-17H,4-14,18H2,1-3H3,(H,23,24).
What are the key properties of N-(2,6-dimethylphenyl)tetradecanamide?
N-(2,6-dimethylphenyl)tetradecanamide has a molecular weight of 331.54 g/mol, XLogP of 6.94, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)tetradecanamide is sourced from PubChem (CID 54789598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).