3-(3-ethylphenyl)-N,N-dimethylbenzamide

C17H19NO — CID 20651355

IUPAC3-(3-ethylphenyl)-N,N-dimethylbenzamide
SMILESCCc1cccc(-c2cccc(C(=O)N(C)C)c2)c1
InChIInChI=1S/C17H19NO/c1-4-13-7-5-8-14(11-13)15-9-6-10-16(12-15)17(19)18(2)3/h5-12H,4H2,1-3H3
InChIKeyQLXPWFZTKKMVED-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.62
Rot. Bonds3

About 3-(3-ethylphenyl)-N,N-dimethylbenzamide

3-(3-ethylphenyl)-N,N-dimethylbenzamide (PubChem CID 20651355) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 3-(3-ethylphenyl)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-(3-ethylphenyl)-N,N-dimethylbenzamide
PubChem CID20651355
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name3-(3-ethylphenyl)-N,N-dimethylbenzamide
SMILESCCc1cccc(-c2cccc(C(=O)N(C)C)c2)c1
InChIInChI=1S/C17H19NO/c1-4-13-7-5-8-14(11-13)15-9-6-10-16(12-15)17(19)18(2)3/h5-12H,4H2,1-3H3
InChIKeyQLXPWFZTKKMVED-UHFFFAOYSA-N
XLogP3.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[3-(dimethylcarbamoyl)phenyl]-N-ethylbenzamide
CID 70972215
N-[2-(dimethylamino)ethyl]-3-(3-ethylphenyl)benzamide
CID 70827081
N,N-dimethyl-3-(4-methylphenyl)benzamide
CID 121373381
3-[3-[(3-ethylphenyl)methylsulfonyl]-4-methoxyphenyl]-N,N-dimethylbenzamide
CID 158055999
N,3-diethyl-N-methylbenzamide
CID 89250993
N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]benzamide
CID 166329824
N,N-dimethyl-3-(2-methylpropyl)benzamide
CID 59462491
N,N-dimethyl-3-(methylaminomethyl)benzamide
CID 83814364
4-(3-ethylphenyl)benzamide
CID 54454087
ethane;3-N-ethyl-1-N,1-N,3-N-trimethylbenzene-1,3-dicarboxamide
CID 170603252
1-[3-(3-ethylphenyl)phenyl]ethanimine
CID 145495072
3-(3-chloro-5-hydroxyphenyl)-N,N-dimethylbenzamide
CID 53221465

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylphenyl)-N,N-dimethylbenzamide?
The IUPAC name of 3-(3-ethylphenyl)-N,N-dimethylbenzamide (CID 20651355) is 3-(3-ethylphenyl)-N,N-dimethylbenzamide.
What is the SMILES notation for 3-(3-ethylphenyl)-N,N-dimethylbenzamide?
The canonical SMILES for 3-(3-ethylphenyl)-N,N-dimethylbenzamide is CCc1cccc(-c2cccc(C(=O)N(C)C)c2)c1.
What is the InChIKey of 3-(3-ethylphenyl)-N,N-dimethylbenzamide?
The InChIKey is QLXPWFZTKKMVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-4-13-7-5-8-14(11-13)15-9-6-10-16(12-15)17(19)18(2)3/h5-12H,4H2,1-3H3.
What are the key properties of 3-(3-ethylphenyl)-N,N-dimethylbenzamide?
3-(3-ethylphenyl)-N,N-dimethylbenzamide has a molecular weight of 253.34 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylphenyl)-N,N-dimethylbenzamide is sourced from PubChem (CID 20651355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).