N-(2,3-dimethylphenyl)dodecanamide

C20H33NO — CID 4198682

IUPACN-(2,3-dimethylphenyl)dodecanamide
SMILESCCCCCCCCCCCC(=O)Nc1cccc(C)c1C
InChIInChI=1S/C20H33NO/c1-4-5-6-7-8-9-10-11-12-16-20(22)21-19-15-13-14-17(2)18(19)3/h13-15H,4-12,16H2,1-3H3,(H,21,22)
InChIKeyXTDPXUUPMJSGRB-UHFFFAOYSA-N
MW303.49 g/mol
LogP6.16
Rot. Bonds11

About N-(2,3-dimethylphenyl)dodecanamide

N-(2,3-dimethylphenyl)dodecanamide (PubChem CID 4198682) has the molecular formula C20H33NO and a molecular weight of 303.49 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)dodecanamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)dodecanamide
PubChem CID4198682
Molecular FormulaC20H33NO
Molecular Weight303.49 g/mol
Exact Mass303.26
IUPAC NameN-(2,3-dimethylphenyl)dodecanamide
SMILESCCCCCCCCCCCC(=O)Nc1cccc(C)c1C
InChIInChI=1S/C20H33NO/c1-4-5-6-7-8-9-10-11-12-16-20(22)21-19-15-13-14-17(2)18(19)3/h13-15H,4-12,16H2,1-3H3,(H,21,22)
InChIKeyXTDPXUUPMJSGRB-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'}

Analyze N-(2,3-dimethylphenyl)dodecanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-hydroxy-2-methylphenyl)decanamide
CID 65426726
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
N-(2,3-dimethylphenyl)-2-(hexadecylamino)acetamide
CID 54808961
N-(2,6-dimethylphenyl)tetradecanamide
CID 54789598
N-(3-hydroxy-2-methylphenyl)pentanamide
CID 64792889
N-(3-chloro-2-methylphenyl)-4-oxo-4-(2-tetradecanoylhydrazinyl)butanamide
CID 54791904
N-naphthalen-1-yldodecanamide
CID 588517
N-(2,3-dimethylphenyl)-4-oxopentanamide
CID 60636238
N-(2-methyl-3-sulfanylphenyl)pentanamide
CID 4713033
N-(2-ethylphenyl)undecanamide
CID 5078439
N,N'-bis(3-chloro-2-methylphenyl)decanediamide
CID 17080098
N-(2-ethylphenyl)heptanamide
CID 4582103

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)dodecanamide?
The IUPAC name of N-(2,3-dimethylphenyl)dodecanamide (CID 4198682) is N-(2,3-dimethylphenyl)dodecanamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)dodecanamide?
The canonical SMILES for N-(2,3-dimethylphenyl)dodecanamide is CCCCCCCCCCCC(=O)Nc1cccc(C)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)dodecanamide?
The InChIKey is XTDPXUUPMJSGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO/c1-4-5-6-7-8-9-10-11-12-16-20(22)21-19-15-13-14-17(2)18(19)3/h13-15H,4-12,16H2,1-3H3,(H,21,22).
What are the key properties of N-(2,3-dimethylphenyl)dodecanamide?
N-(2,3-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-(2,3-dimethylphenyl)dodecanamide is sourced from PubChem (CID 4198682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).