3-ethyl-5-[(3-methylphenyl)methyl]benzamide

C17H19NO — CID 175279696

IUPAC3-ethyl-5-[(3-methylphenyl)methyl]benzamide
SMILESCCc1cc(Cc2cccc(C)c2)cc(C(N)=O)c1
InChIInChI=1S/C17H19NO/c1-3-13-8-15(11-16(10-13)17(18)19)9-14-6-4-5-12(2)7-14/h4-8,10-11H,3,9H2,1-2H3,(H2,18,19)
InChIKeyWXFBZDYNTUBSIC-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.25
Rot. Bonds4

About 3-ethyl-5-[(3-methylphenyl)methyl]benzamide

3-ethyl-5-[(3-methylphenyl)methyl]benzamide (PubChem CID 175279696) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 3-ethyl-5-[(3-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-ethyl-5-[(3-methylphenyl)methyl]benzamide
PubChem CID175279696
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name3-ethyl-5-[(3-methylphenyl)methyl]benzamide
SMILESCCc1cc(Cc2cccc(C)c2)cc(C(N)=O)c1
InChIInChI=1S/C17H19NO/c1-3-13-8-15(11-16(10-13)17(18)19)9-14-6-4-5-12(2)7-14/h4-8,10-11H,3,9H2,1-2H3,(H2,18,19)
InChIKeyWXFBZDYNTUBSIC-UHFFFAOYSA-N
XLogP3.25
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-3-methylbenzene;methanamine
CID 167447790
3-benzylbenzamide;hydrochloride
CID 159409318
ethane;bis(1-ethyl-3-methylbenzene)
CID 142878274
1-[(3,5-diethylphenyl)methyl]-3-ethyl-5-[(3-ethyl-5-methylphenyl)methyl]benzene
CID 159034335
3-[[2-(aminomethyl)-4-methylphenyl]methyl]benzamide
CID 129059199
ethane;1-ethyl-3-methylbenzene;formaldehyde
CID 172563625
1-ethyl-3-(4-phenylbutyl)benzene;4-methylbenzamide
CID 145486786
4-[[2-(3-methylphenyl)ethylamino]methyl]benzamide
CID 62314630
ethane;1-ethyl-3-methylbenzene;methane;propane
CID 161003738
3-(aminomethyl)-5-[(4-hydroxyphenyl)methyl]benzamide
CID 70930185
4-(3-ethylphenyl)benzamide
CID 54454087
5-[(3-methylphenyl)methyl]-1H-1,2,4-triazole-3-carboxamide
CID 90351403

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[(3-methylphenyl)methyl]benzamide?
The IUPAC name of 3-ethyl-5-[(3-methylphenyl)methyl]benzamide (CID 175279696) is 3-ethyl-5-[(3-methylphenyl)methyl]benzamide.
What is the SMILES notation for 3-ethyl-5-[(3-methylphenyl)methyl]benzamide?
The canonical SMILES for 3-ethyl-5-[(3-methylphenyl)methyl]benzamide is CCc1cc(Cc2cccc(C)c2)cc(C(N)=O)c1.
What is the InChIKey of 3-ethyl-5-[(3-methylphenyl)methyl]benzamide?
The InChIKey is WXFBZDYNTUBSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-3-13-8-15(11-16(10-13)17(18)19)9-14-6-4-5-12(2)7-14/h4-8,10-11H,3,9H2,1-2H3,(H2,18,19).
What are the key properties of 3-ethyl-5-[(3-methylphenyl)methyl]benzamide?
3-ethyl-5-[(3-methylphenyl)methyl]benzamide has a molecular weight of 253.34 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[(3-methylphenyl)methyl]benzamide is sourced from PubChem (CID 175279696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).