3-ethyl-N-methylbenzamide

C10H13NO — CID 59115297

IUPAC3-ethyl-N-methylbenzamide
SMILESCCc1cccc(C(=O)NC)c1
InChIInChI=1S/C10H13NO/c1-3-8-5-4-6-9(7-8)10(12)11-2/h4-7H,3H2,1-2H3,(H,11,12)
InChIKeyYJIKUNGXOMLTKL-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.61
Rot. Bonds2

About 3-ethyl-N-methylbenzamide

3-ethyl-N-methylbenzamide (PubChem CID 59115297) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 3-ethyl-N-methylbenzamide.

Molecular Properties

Compound Name3-ethyl-N-methylbenzamide
PubChem CID59115297
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name3-ethyl-N-methylbenzamide
SMILESCCc1cccc(C(=O)NC)c1
InChIInChI=1S/C10H13NO/c1-3-8-5-4-6-9(7-8)10(12)11-2/h4-7H,3H2,1-2H3,(H,11,12)
InChIKeyYJIKUNGXOMLTKL-UHFFFAOYSA-N
XLogP1.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(aminomethyl)-N-methylbenzamide;ethane
CID 143416429
3-(cyanomethyl)-N-methylbenzamide
CID 69441046
3-[[[2-(3-ethylphenoxy)acetyl]amino]methyl]-N-methylbenzamide
CID 33203040
3-[(ethenylamino)methyl]-N-methylbenzamide
CID 156799319
3-ethylbenzoic acid;propane
CID 177324794
3-ethyl-5-[[3-ethyl-5-(methylcarbamoyl)phenyl]methyl]-N-methylbenzamide
CID 159329944
3-(3-ethylphenyl)-3-oxopropanoic acid
CID 55267512
3-[[2-(3-ethylphenoxy)acetyl]amino]-N-methylbenzamide
CID 31524865
3-N-[(3-ethylphenyl)methyl]-1-N,5-dimethylbenzene-1,3-dicarboxamide
CID 91172760
3-(isothiocyanatomethyl)-N-methylbenzamide
CID 16664203
ethane;1-(3-ethylphenyl)propan-1-one
CID 142830478
3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-N-methylbenzamide
CID 146131801

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-methylbenzamide?
The IUPAC name of 3-ethyl-N-methylbenzamide (CID 59115297) is 3-ethyl-N-methylbenzamide.
What is the SMILES notation for 3-ethyl-N-methylbenzamide?
The canonical SMILES for 3-ethyl-N-methylbenzamide is CCc1cccc(C(=O)NC)c1.
What is the InChIKey of 3-ethyl-N-methylbenzamide?
The InChIKey is YJIKUNGXOMLTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-3-8-5-4-6-9(7-8)10(12)11-2/h4-7H,3H2,1-2H3,(H,11,12).
What are the key properties of 3-ethyl-N-methylbenzamide?
3-ethyl-N-methylbenzamide has a molecular weight of 163.22 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-methylbenzamide is sourced from PubChem (CID 59115297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).