2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)benzamide

C24H25N3O2 — CID 9106324

IUPAC2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccccc2NCC(=O)Nc2cccc(C)c2C)cc1
InChIInChI=1S/C24H25N3O2/c1-16-11-13-19(14-12-16)26-24(29)20-8-4-5-9-22(20)25-15-23(28)27-21-10-6-7-17(2)18(21)3/h4-14,25H,15H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyOYOWRDTZYKOFBX-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.91
Rot. Bonds6

About 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)benzamide

2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)benzamide (PubChem CID 9106324) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)benzamide.

Molecular Properties

Compound Name2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)benzamide
PubChem CID9106324
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccccc2NCC(=O)Nc2cccc(C)c2C)cc1
InChIInChI=1S/C24H25N3O2/c1-16-11-13-19(14-12-16)26-24(29)20-8-4-5-9-22(20)25-15-23(28)27-21-10-6-7-17(2)18(21)3/h4-14,25H,15H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyOYOWRDTZYKOFBX-UHFFFAOYSA-N
XLogP4.91
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(4-ethylphenyl)benzamide
CID 9106065
2-[[2-(4-methylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)benzamide
CID 9106347
N-(4-chlorophenyl)-2-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide
CID 18205586
2-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)benzamide
CID 9106367
2-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 9105938
2-(2-methylanilino)-N-(4-methylphenyl)acetamide
CID 7636705
N-(4-methylphenyl)-2-(propylamino)benzamide
CID 62166798
2-[[2-[2-[(4-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]amino]-N,6-dimethylbenzamide
CID 86881942
2-(2-chloroanilino)-N-(2,3-dimethylphenyl)acetamide
CID 9098705
2-[(2-anilino-2-oxoethyl)amino]-N-(4-methoxyphenyl)benzamide
CID 9105493
2-[[2-(2,6-diethylanilino)-2-oxoethyl]amino]-N-(4-fluorophenyl)benzamide
CID 9103988
N-(4-ethylphenyl)-2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]benzamide
CID 9106090

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)benzamide?
The IUPAC name of 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)benzamide (CID 9106324) is 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)benzamide.
What is the SMILES notation for 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)benzamide?
The canonical SMILES for 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)benzamide is Cc1ccc(NC(=O)c2ccccc2NCC(=O)Nc2cccc(C)c2C)cc1.
What is the InChIKey of 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)benzamide?
The InChIKey is OYOWRDTZYKOFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-16-11-13-19(14-12-16)26-24(29)20-8-4-5-9-22(20)25-15-23(28)27-21-10-6-7-17(2)18(21)3/h4-14,25H,15H2,1-3H3,(H,26,29)(H,27,28).
What are the key properties of 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)benzamide?
2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)benzamide has a molecular weight of 387.48 g/mol, XLogP of 4.91, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(4-methylphenyl)benzamide is sourced from PubChem (CID 9106324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).