N-benzyl-2-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]amino]benzamide

C24H25N3O4 — CID 2532138

IUPACN-benzyl-2-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]amino]benzamide
SMILESCOc1ccc(NC(=O)CNc2ccccc2C(=O)NCc2ccccc2)cc1OC
InChIInChI=1S/C24H25N3O4/c1-30-21-13-12-18(14-22(21)31-2)27-23(28)16-25-20-11-7-6-10-19(20)24(29)26-15-17-8-4-3-5-9-17/h3-14,25H,15-16H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyGZBNAACPZUXVHE-UHFFFAOYSA-N
MW419.48 g/mol
LogP3.68
Rot. Bonds9

About N-benzyl-2-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]amino]benzamide

N-benzyl-2-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]amino]benzamide (PubChem CID 2532138) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is N-benzyl-2-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-2-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]amino]benzamide
PubChem CID2532138
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC NameN-benzyl-2-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]amino]benzamide
SMILESCOc1ccc(NC(=O)CNc2ccccc2C(=O)NCc2ccccc2)cc1OC
InChIInChI=1S/C24H25N3O4/c1-30-21-13-12-18(14-22(21)31-2)27-23(28)16-25-20-11-7-6-10-19(20)24(29)26-15-17-8-4-3-5-9-17/h3-14,25H,15-16H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyGZBNAACPZUXVHE-UHFFFAOYSA-N
XLogP3.68
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-benzyl-2-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]amino]benzamide 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-(3,4-dimethoxyphenyl)-2-(naphthalen-1-ylamino)acetamide
CID 9082418
N-benzyl-4-[[2-(2,5-dimethoxyanilino)acetyl]amino]benzamide
CID 54814086
2-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]-N-(2-phenylethyl)benzamide
CID 9103404
2-[[2-(3-fluoro-4-methoxyanilino)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 55897755
N-benzyl-4-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]benzamide
CID 54843765
5-acetamido-N-benzyl-2-methoxybenzamide
CID 110764462
N-benzyl-2-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]benzamide
CID 9105774
N-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-2-fluorobenzamide
CID 26694803
2-(4,5-dimethoxy-2-methylanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 9105356
methyl 3-[[2-[2-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate
CID 47013640
2-[(3,4-dimethoxyphenyl)methylamino]-N-phenylbenzamide
CID 15008953
2-[(2-anilino-2-oxoethyl)amino]-N-(4-methoxyphenyl)benzamide
CID 9105493

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]amino]benzamide?
The IUPAC name of N-benzyl-2-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]amino]benzamide (CID 2532138) is N-benzyl-2-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-benzyl-2-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-benzyl-2-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]amino]benzamide is COc1ccc(NC(=O)CNc2ccccc2C(=O)NCc2ccccc2)cc1OC.
What is the InChIKey of N-benzyl-2-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]amino]benzamide?
The InChIKey is GZBNAACPZUXVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-30-21-13-12-18(14-22(21)31-2)27-23(28)16-25-20-11-7-6-10-19(20)24(29)26-15-17-8-4-3-5-9-17/h3-14,25H,15-16H2,1-2H3,(H,26,29)(H,27,28).
What are the key properties of N-benzyl-2-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]amino]benzamide?
N-benzyl-2-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]amino]benzamide has a molecular weight of 419.48 g/mol, XLogP of 3.68, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 2532138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).