2-[(2,4-dimethylphenoxy)methyl]-3-methylbenzamide

C17H19NO2 — CID 118244198

IUPAC2-[(2,4-dimethylphenoxy)methyl]-3-methylbenzamide
SMILESCc1ccc(OCc2c(C)cccc2C(N)=O)c(C)c1
InChIInChI=1S/C17H19NO2/c1-11-7-8-16(13(3)9-11)20-10-15-12(2)5-4-6-14(15)17(18)19/h4-9H,10H2,1-3H3,(H2,18,19)
InChIKeyLLIQWYNYNGYIDJ-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.29
Rot. Bonds4

About 2-[(2,4-dimethylphenoxy)methyl]-3-methylbenzamide

2-[(2,4-dimethylphenoxy)methyl]-3-methylbenzamide (PubChem CID 118244198) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[(2,4-dimethylphenoxy)methyl]-3-methylbenzamide.

Molecular Properties

Compound Name2-[(2,4-dimethylphenoxy)methyl]-3-methylbenzamide
PubChem CID118244198
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-[(2,4-dimethylphenoxy)methyl]-3-methylbenzamide
SMILESCc1ccc(OCc2c(C)cccc2C(N)=O)c(C)c1
InChIInChI=1S/C17H19NO2/c1-11-7-8-16(13(3)9-11)20-10-15-12(2)5-4-6-14(15)17(18)19/h4-9H,10H2,1-3H3,(H2,18,19)
InChIKeyLLIQWYNYNGYIDJ-UHFFFAOYSA-N
XLogP3.29
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(2,4-dimethylphenoxy)methyl]-3-methylbenzamide 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

methyl 2-[(2,4-dimethylphenoxy)methyl]-3-methylbenzoate
CID 121367532
methyl 2-[(2,4-dimethylphenoxy)methyl]-3-ethylbenzoate
CID 121367533
ethyl 3-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]benzoate
CID 121367560
O-[2-[(2,4-dimethylphenoxy)methyl]-3-methylphenyl] N-methylcarbamothioate
CID 122646183
N-chloro-2-[(4-hydroxy-2-methylphenoxy)methyl]-3-methylbenzamide
CID 129110227
2-[(2,4-dimethylphenoxy)methyl]benzohydrazide
CID 63576319
2-[2-[(2,4-dimethylphenoxy)methyl]-3-fluorophenyl]-N-methyl-2-oxoacetamide
CID 129039162
2-[(2,4-dimethylphenoxy)methyl]-3-ethylaniline
CID 118244149
4-[(2,4-dimethylphenoxy)methyl]-3-methylbenzamide
CID 114486236
methyl 3-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]benzoate
CID 121367539
N-hydroxy-3-methyl-2-[(2,4,5-trimethylphenoxy)methyl]benzamide
CID 118244206
S-[2-[(2,4-dimethylphenoxy)methyl]-3-iodophenyl] ethanethioate
CID 122646219

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethylphenoxy)methyl]-3-methylbenzamide?
The IUPAC name of 2-[(2,4-dimethylphenoxy)methyl]-3-methylbenzamide (CID 118244198) is 2-[(2,4-dimethylphenoxy)methyl]-3-methylbenzamide.
What is the SMILES notation for 2-[(2,4-dimethylphenoxy)methyl]-3-methylbenzamide?
The canonical SMILES for 2-[(2,4-dimethylphenoxy)methyl]-3-methylbenzamide is Cc1ccc(OCc2c(C)cccc2C(N)=O)c(C)c1.
What is the InChIKey of 2-[(2,4-dimethylphenoxy)methyl]-3-methylbenzamide?
The InChIKey is LLIQWYNYNGYIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-11-7-8-16(13(3)9-11)20-10-15-12(2)5-4-6-14(15)17(18)19/h4-9H,10H2,1-3H3,(H2,18,19).
What are the key properties of 2-[(2,4-dimethylphenoxy)methyl]-3-methylbenzamide?
2-[(2,4-dimethylphenoxy)methyl]-3-methylbenzamide has a molecular weight of 269.34 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethylphenoxy)methyl]-3-methylbenzamide is sourced from PubChem (CID 118244198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).