4-benzoyl-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide

C25H24N2O3 — CID 9479837

IUPAC4-benzoyl-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
SMILESCc1ccc(C)c(NC(=O)CN(C)C(=O)c2ccc(C(=O)c3ccccc3)cc2)c1
InChIInChI=1S/C25H24N2O3/c1-17-9-10-18(2)22(15-17)26-23(28)16-27(3)25(30)21-13-11-20(12-14-21)24(29)19-7-5-4-6-8-19/h4-15H,16H2,1-3H3,(H,26,28)
InChIKeyDIFFXOCSKXGYOR-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.25
Rot. Bonds6

About 4-benzoyl-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide

4-benzoyl-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide (PubChem CID 9479837) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is 4-benzoyl-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-benzoyl-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
PubChem CID9479837
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC Name4-benzoyl-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
SMILESCc1ccc(C)c(NC(=O)CN(C)C(=O)c2ccc(C(=O)c3ccccc3)cc2)c1
InChIInChI=1S/C25H24N2O3/c1-17-9-10-18(2)22(15-17)26-23(28)16-27(3)25(30)21-13-11-20(12-14-21)24(29)19-7-5-4-6-8-19/h4-15H,16H2,1-3H3,(H,26,28)
InChIKeyDIFFXOCSKXGYOR-UHFFFAOYSA-N
XLogP4.25
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-benzoyl-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylnaphthalene-2-carboxamide
CID 8914643
[4-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylcarbamoyl]phenyl] acetate
CID 8637864
3,4-dichloro-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 2672632
4-(2-amino-2-oxoethoxy)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 9085515
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-3-(methylsulfanylmethyl)benzamide
CID 9319210
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9318892
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 9479956
N-methyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 35553197
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-3-(propan-2-ylsulfamoyl)benzamide
CID 9479566
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-phenylbenzamide
CID 9494059
3-benzamido-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,4-dimethylbenzamide
CID 55630794
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-3-(prop-2-enylsulfamoyl)benzamide
CID 9479644

Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of 4-benzoyl-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide (CID 9479837) is 4-benzoyl-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for 4-benzoyl-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for 4-benzoyl-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide is Cc1ccc(C)c(NC(=O)CN(C)C(=O)c2ccc(C(=O)c3ccccc3)cc2)c1.
What is the InChIKey of 4-benzoyl-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide?
The InChIKey is DIFFXOCSKXGYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-17-9-10-18(2)22(15-17)26-23(28)16-27(3)25(30)21-13-11-20(12-14-21)24(29)19-7-5-4-6-8-19/h4-15H,16H2,1-3H3,(H,26,28).
What are the key properties of 4-benzoyl-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide?
4-benzoyl-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide has a molecular weight of 400.48 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 9479837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).