3,4-dimethyl-N-[2-oxo-2-(4-phenylanilino)ethyl]benzamide

C23H22N2O2 — CID 9414724

IUPAC3,4-dimethyl-N-[2-oxo-2-(4-phenylanilino)ethyl]benzamide
SMILESCc1ccc(C(=O)NCC(=O)Nc2ccc(-c3ccccc3)cc2)cc1C
InChIInChI=1S/C23H22N2O2/c1-16-8-9-20(14-17(16)2)23(27)24-15-22(26)25-21-12-10-19(11-13-21)18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyXOQWELXEPMYCIJ-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.34
Rot. Bonds5

About 3,4-dimethyl-N-[2-oxo-2-(4-phenylanilino)ethyl]benzamide

3,4-dimethyl-N-[2-oxo-2-(4-phenylanilino)ethyl]benzamide (PubChem CID 9414724) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 3,4-dimethyl-N-[2-oxo-2-(4-phenylanilino)ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[2-oxo-2-(4-phenylanilino)ethyl]benzamide
PubChem CID9414724
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name3,4-dimethyl-N-[2-oxo-2-(4-phenylanilino)ethyl]benzamide
SMILESCc1ccc(C(=O)NCC(=O)Nc2ccc(-c3ccccc3)cc2)cc1C
InChIInChI=1S/C23H22N2O2/c1-16-8-9-20(14-17(16)2)23(27)24-15-22(26)25-21-12-10-19(11-13-21)18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyXOQWELXEPMYCIJ-UHFFFAOYSA-N
XLogP4.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 9412782
N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 9216095
3,4-dimethyl-N-[2-oxo-2-(4-sulfamoylanilino)ethyl]benzamide
CID 18161684
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 9411502
N-(2-anilino-2-oxoethyl)-4-methylbenzamide
CID 4010991
N-[2-(2-hydroxyanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 27157902
[2-(4-methylanilino)-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 7885307
3,4-dimethyl-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide
CID 7534879
N-[2-(2-chloroanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 9411325
N-[2-(3-methoxyanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 27167538
3,4-dimethyl-N-[2-oxo-2-[4-(propan-2-ylsulfamoyl)anilino]ethyl]benzamide
CID 9219410
N-[2-(3,3-diphenylpropylamino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 26796426

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[2-oxo-2-(4-phenylanilino)ethyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[2-oxo-2-(4-phenylanilino)ethyl]benzamide (CID 9414724) is 3,4-dimethyl-N-[2-oxo-2-(4-phenylanilino)ethyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[2-oxo-2-(4-phenylanilino)ethyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[2-oxo-2-(4-phenylanilino)ethyl]benzamide is Cc1ccc(C(=O)NCC(=O)Nc2ccc(-c3ccccc3)cc2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[2-oxo-2-(4-phenylanilino)ethyl]benzamide?
The InChIKey is XOQWELXEPMYCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-16-8-9-20(14-17(16)2)23(27)24-15-22(26)25-21-12-10-19(11-13-21)18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of 3,4-dimethyl-N-[2-oxo-2-(4-phenylanilino)ethyl]benzamide?
3,4-dimethyl-N-[2-oxo-2-(4-phenylanilino)ethyl]benzamide has a molecular weight of 358.44 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[2-oxo-2-(4-phenylanilino)ethyl]benzamide is sourced from PubChem (CID 9414724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).