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

C24H25N3O2 — CID 9105774

IUPACN-benzyl-2-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]benzamide
SMILESCc1ccc(NC(=O)CNc2ccccc2C(=O)NCc2ccccc2)c(C)c1
InChIInChI=1S/C24H25N3O2/c1-17-12-13-21(18(2)14-17)27-23(28)16-25-22-11-7-6-10-20(22)24(29)26-15-19-8-4-3-5-9-19/h3-14,25H,15-16H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyHNCMOMRITDHJQE-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.28
Rot. Bonds7

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

N-benzyl-2-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]benzamide (PubChem CID 9105774) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-benzyl-2-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-2-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]benzamide
PubChem CID9105774
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC NameN-benzyl-2-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]benzamide
SMILESCc1ccc(NC(=O)CNc2ccccc2C(=O)NCc2ccccc2)c(C)c1
InChIInChI=1S/C24H25N3O2/c1-17-12-13-21(18(2)14-17)27-23(28)16-25-22-11-7-6-10-20(22)24(29)26-15-19-8-4-3-5-9-19/h3-14,25H,15-16H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyHNCMOMRITDHJQE-UHFFFAOYSA-N
XLogP4.28
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 9105938
N-benzyl-2-[[2-(2,5-dimethylphenyl)acetyl]amino]benzamide
CID 92646177
N-benzyl-2-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]amino]benzamide
CID 2532138
2-[[2-[5-(dimethylsulfamoyl)-2-methylanilino]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 55345425
N-[2-[2-[2-(2,4-dimethylanilino)acetyl]hydrazinyl]-2-oxoethyl]-2-fluorobenzamide
CID 9432088
N-[(4-methylphenyl)methyl]-2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]benzamide
CID 78817610
methyl 3-[[2-[2-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate
CID 47013640
N-benzyl-3-[[2-(2,5-dimethylanilino)-2-oxoethyl]amino]benzamide
CID 54842992
N-benzyl-2-(2-methylanilino)benzamide
CID 23737672
N-benzyl-2-[[2-(2-methoxyethylamino)acetyl]amino]benzamide
CID 119679545
N'-[2-(2,4-dimethylanilino)acetyl]naphthalene-1-carbohydrazide
CID 102603460
2-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(2-phenylethyl)benzamide
CID 9103404

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]benzamide?
The IUPAC name of N-benzyl-2-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]benzamide (CID 9105774) is N-benzyl-2-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-benzyl-2-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-benzyl-2-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]benzamide is Cc1ccc(NC(=O)CNc2ccccc2C(=O)NCc2ccccc2)c(C)c1.
What is the InChIKey of N-benzyl-2-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]benzamide?
The InChIKey is HNCMOMRITDHJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-17-12-13-21(18(2)14-17)27-23(28)16-25-22-11-7-6-10-20(22)24(29)26-15-19-8-4-3-5-9-19/h3-14,25H,15-16H2,1-2H3,(H,26,29)(H,27,28).
What are the key properties of N-benzyl-2-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]benzamide?
N-benzyl-2-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]benzamide has a molecular weight of 387.48 g/mol, XLogP of 4.28, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 9105774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).