4-(3,4-dimethylphenyl)-N-(3-methoxyphenyl)-N-methylbenzamide

C23H23NO2 — CID 127040395

IUPAC4-(3,4-dimethylphenyl)-N-(3-methoxyphenyl)-N-methylbenzamide
SMILESCOc1cccc(N(C)C(=O)c2ccc(-c3ccc(C)c(C)c3)cc2)c1
InChIInChI=1S/C23H23NO2/c1-16-8-9-20(14-17(16)2)18-10-12-19(13-11-18)23(25)24(3)21-6-5-7-22(15-21)26-4/h5-15H,1-4H3
InChIKeyWTAFEBBUEIIPEM-UHFFFAOYSA-N
MW345.44 g/mol
LogP5.26
Rot. Bonds4

About 4-(3,4-dimethylphenyl)-N-(3-methoxyphenyl)-N-methylbenzamide

4-(3,4-dimethylphenyl)-N-(3-methoxyphenyl)-N-methylbenzamide (PubChem CID 127040395) has the molecular formula C23H23NO2 and a molecular weight of 345.44 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-N-(3-methoxyphenyl)-N-methylbenzamide.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)-N-(3-methoxyphenyl)-N-methylbenzamide
PubChem CID127040395
Molecular FormulaC23H23NO2
Molecular Weight345.44 g/mol
Exact Mass345.17
IUPAC Name4-(3,4-dimethylphenyl)-N-(3-methoxyphenyl)-N-methylbenzamide
SMILESCOc1cccc(N(C)C(=O)c2ccc(-c3ccc(C)c(C)c3)cc2)c1
InChIInChI=1S/C23H23NO2/c1-16-8-9-20(14-17(16)2)18-10-12-19(13-11-18)23(25)24(3)21-6-5-7-22(15-21)26-4/h5-15H,1-4H3
InChIKeyWTAFEBBUEIIPEM-UHFFFAOYSA-N
XLogP5.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.44
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)-N-(3-methoxyphenyl)-N-methylbenzamide?
The IUPAC name of 4-(3,4-dimethylphenyl)-N-(3-methoxyphenyl)-N-methylbenzamide (CID 127040395) is 4-(3,4-dimethylphenyl)-N-(3-methoxyphenyl)-N-methylbenzamide.
What is the SMILES notation for 4-(3,4-dimethylphenyl)-N-(3-methoxyphenyl)-N-methylbenzamide?
The canonical SMILES for 4-(3,4-dimethylphenyl)-N-(3-methoxyphenyl)-N-methylbenzamide is COc1cccc(N(C)C(=O)c2ccc(-c3ccc(C)c(C)c3)cc2)c1.
What is the InChIKey of 4-(3,4-dimethylphenyl)-N-(3-methoxyphenyl)-N-methylbenzamide?
The InChIKey is WTAFEBBUEIIPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO2/c1-16-8-9-20(14-17(16)2)18-10-12-19(13-11-18)23(25)24(3)21-6-5-7-22(15-21)26-4/h5-15H,1-4H3.
What are the key properties of 4-(3,4-dimethylphenyl)-N-(3-methoxyphenyl)-N-methylbenzamide?
4-(3,4-dimethylphenyl)-N-(3-methoxyphenyl)-N-methylbenzamide has a molecular weight of 345.44 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)-N-(3-methoxyphenyl)-N-methylbenzamide is sourced from PubChem (CID 127040395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).