3-(2,4-dimethylphenoxy)-N-ethylbenzamide

C17H19NO2 — CID 12941864

IUPAC3-(2,4-dimethylphenoxy)-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(Oc2ccc(C)cc2C)c1
InChIInChI=1S/C17H19NO2/c1-4-18-17(19)14-6-5-7-15(11-14)20-16-9-8-12(2)10-13(16)3/h5-11H,4H2,1-3H3,(H,18,19)
InChIKeyHVSUVYGDQOVOMA-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.85
Rot. Bonds4

About 3-(2,4-dimethylphenoxy)-N-ethylbenzamide

3-(2,4-dimethylphenoxy)-N-ethylbenzamide (PubChem CID 12941864) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-(2,4-dimethylphenoxy)-N-ethylbenzamide.

Molecular Properties

Compound Name3-(2,4-dimethylphenoxy)-N-ethylbenzamide
PubChem CID12941864
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name3-(2,4-dimethylphenoxy)-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(Oc2ccc(C)cc2C)c1
InChIInChI=1S/C17H19NO2/c1-4-18-17(19)14-6-5-7-15(11-14)20-16-9-8-12(2)10-13(16)3/h5-11H,4H2,1-3H3,(H,18,19)
InChIKeyHVSUVYGDQOVOMA-UHFFFAOYSA-N
XLogP3.85
TPSA38.33 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 ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chloro-4-methylphenoxy)-N-ethylbenzamide
CID 12941937
3-(2,5-dichlorophenoxy)-N-ethylbenzamide
CID 12941782
3-(4-bromophenoxy)-N-ethylbenzamide
CID 12941905
3-butan-2-yloxy-N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide
CID 17149862
N-methyl-3-(2-methylphenoxy)benzamide
CID 143860787
3-(2-aminoquinolin-4-yl)oxy-N-ethylbenzamide
CID 166050629
ethane;N-ethyl-3-methylbenzamide;1-fluoro-3-methylbenzene
CID 142892736
N-[2-(2,4-dimethylphenoxy)ethyl]-3-iodobenzamide
CID 100514188
1-[3-(2-methylphenoxy)phenyl]propan-1-one
CID 114079071
3-[2-(2,5-dimethylphenoxy)ethoxy]-N-(2-methoxyethyl)benzamide
CID 13387117
2-(2,4-dimethylphenoxy)-N-ethylacetamide
CID 965411
N-ethyl-3-hydroxybenzamide
CID 13175248

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenoxy)-N-ethylbenzamide?
The IUPAC name of 3-(2,4-dimethylphenoxy)-N-ethylbenzamide (CID 12941864) is 3-(2,4-dimethylphenoxy)-N-ethylbenzamide.
What is the SMILES notation for 3-(2,4-dimethylphenoxy)-N-ethylbenzamide?
The canonical SMILES for 3-(2,4-dimethylphenoxy)-N-ethylbenzamide is CCNC(=O)c1cccc(Oc2ccc(C)cc2C)c1.
What is the InChIKey of 3-(2,4-dimethylphenoxy)-N-ethylbenzamide?
The InChIKey is HVSUVYGDQOVOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-4-18-17(19)14-6-5-7-15(11-14)20-16-9-8-12(2)10-13(16)3/h5-11H,4H2,1-3H3,(H,18,19).
What are the key properties of 3-(2,4-dimethylphenoxy)-N-ethylbenzamide?
3-(2,4-dimethylphenoxy)-N-ethylbenzamide has a molecular weight of 269.34 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenoxy)-N-ethylbenzamide is sourced from PubChem (CID 12941864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).