3-(3,4-dimethylphenoxy)-5-methylbenzamide

C16H17NO2 — CID 143152048

IUPAC3-(3,4-dimethylphenoxy)-5-methylbenzamide
SMILESCc1cc(Oc2ccc(C)c(C)c2)cc(C(N)=O)c1
InChIInChI=1S/C16H17NO2/c1-10-6-13(16(17)18)9-15(7-10)19-14-5-4-11(2)12(3)8-14/h4-9H,1-3H3,(H2,17,18)
InChIKeyAPTWVVMFTIRYFR-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.50
Rot. Bonds3

About 3-(3,4-dimethylphenoxy)-5-methylbenzamide

3-(3,4-dimethylphenoxy)-5-methylbenzamide (PubChem CID 143152048) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-(3,4-dimethylphenoxy)-5-methylbenzamide.

Molecular Properties

Compound Name3-(3,4-dimethylphenoxy)-5-methylbenzamide
PubChem CID143152048
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name3-(3,4-dimethylphenoxy)-5-methylbenzamide
SMILESCc1cc(Oc2ccc(C)c(C)c2)cc(C(N)=O)c1
InChIInChI=1S/C16H17NO2/c1-10-6-13(16(17)18)9-15(7-10)19-14-5-4-11(2)12(3)8-14/h4-9H,1-3H3,(H2,17,18)
InChIKeyAPTWVVMFTIRYFR-UHFFFAOYSA-N
XLogP3.50
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

bis(3,4-dimethylphenyl)methanone;4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene
CID 159619159
4-(4-amino-3-methylphenoxy)benzamide
CID 43381706
bis[4-[4-(3,5-dimethylphenoxy)phenoxy]phenyl]methanone
CID 118474101
1,2-dimethyl-4-(4-methylphenoxy)benzene
CID 15324949
4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene;2,2,2-trifluoroacetic acid
CID 21195895
2-amino-3-(3,4-dimethylphenoxy)benzamide
CID 115546944
4-(4-carbamoylphenoxy)benzamide
CID 156597124
3-[(2S)-1-methoxypropan-2-yl]oxy-5-(3-methylphenoxy)benzamide
CID 141115227
4-(3,5-dimethylphenoxy)-2-methylbenzenecarboximidamide
CID 81276388
methyl 2-amino-5-(3,4-dimethylphenoxy)benzoate
CID 63423501
3-cyclohexyloxy-5-methylbenzamide
CID 143171162
4-(3,4-dimethylphenoxy)-N'-hydroxy-2-methylbenzenecarboximidamide
CID 81277438

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenoxy)-5-methylbenzamide?
The IUPAC name of 3-(3,4-dimethylphenoxy)-5-methylbenzamide (CID 143152048) is 3-(3,4-dimethylphenoxy)-5-methylbenzamide.
What is the SMILES notation for 3-(3,4-dimethylphenoxy)-5-methylbenzamide?
The canonical SMILES for 3-(3,4-dimethylphenoxy)-5-methylbenzamide is Cc1cc(Oc2ccc(C)c(C)c2)cc(C(N)=O)c1.
What is the InChIKey of 3-(3,4-dimethylphenoxy)-5-methylbenzamide?
The InChIKey is APTWVVMFTIRYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-10-6-13(16(17)18)9-15(7-10)19-14-5-4-11(2)12(3)8-14/h4-9H,1-3H3,(H2,17,18).
What are the key properties of 3-(3,4-dimethylphenoxy)-5-methylbenzamide?
3-(3,4-dimethylphenoxy)-5-methylbenzamide has a molecular weight of 255.32 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenoxy)-5-methylbenzamide is sourced from PubChem (CID 143152048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).