N-benzyl-4-[[2-(4-ethoxyanilino)acetyl]amino]benzamide

C24H25N3O3 — CID 54810964

IUPACN-benzyl-4-[[2-(4-ethoxyanilino)acetyl]amino]benzamide
SMILESCCOc1ccc(NCC(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)cc1
InChIInChI=1S/C24H25N3O3/c1-2-30-22-14-12-20(13-15-22)25-17-23(28)27-21-10-8-19(9-11-21)24(29)26-16-18-6-4-3-5-7-18/h3-15,25H,2,16-17H2,1H3,(H,26,29)(H,27,28)
InChIKeyPPSATHBJXJZLPT-UHFFFAOYSA-N
MW403.48 g/mol
LogP4.07
Rot. Bonds9

About N-benzyl-4-[[2-(4-ethoxyanilino)acetyl]amino]benzamide

N-benzyl-4-[[2-(4-ethoxyanilino)acetyl]amino]benzamide (PubChem CID 54810964) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-benzyl-4-[[2-(4-ethoxyanilino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-4-[[2-(4-ethoxyanilino)acetyl]amino]benzamide
PubChem CID54810964
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC NameN-benzyl-4-[[2-(4-ethoxyanilino)acetyl]amino]benzamide
SMILESCCOc1ccc(NCC(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)cc1
InChIInChI=1S/C24H25N3O3/c1-2-30-22-14-12-20(13-15-22)25-17-23(28)27-21-10-8-19(9-11-21)24(29)26-16-18-6-4-3-5-7-18/h3-15,25H,2,16-17H2,1H3,(H,26,29)(H,27,28)
InChIKeyPPSATHBJXJZLPT-UHFFFAOYSA-N
XLogP4.07
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze N-benzyl-4-[[2-(4-ethoxyanilino)acetyl]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

1-N-benzyl-4-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 109046738
N-benzyl-4-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54843854
N-benzyl-4-[[2-oxo-2-(4-prop-2-enoxyanilino)ethyl]amino]benzamide
CID 54843914
4-[[2-[4-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide
CID 54835804
N-benzyl-1-[2-(4-ethoxyanilino)-2-oxoethyl]pyridin-1-ium-4-carboxamide chloride
CID 171114767
N-ethyl-4-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]benzamide
CID 54823874
N-benzyl-4-[[2-(4-methylphenoxy)acetyl]amino]benzamide
CID 28639871
N-ethyl-4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide
CID 54839113
tert-butyl N-[2-[4-[[(4-ethoxybenzoyl)amino]methyl]anilino]-2-oxoethyl]carbamate
CID 108917576
2-(4-ethoxyanilino)-N-[4-(2-phenylethoxy)phenyl]acetamide
CID 54811684
4-[[2-oxo-2-[4-(2-phenylethoxy)anilino]ethyl]amino]-N-propylbenzamide
CID 54836155
N-benzyl-4-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]benzamide
CID 54843743

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[[2-(4-ethoxyanilino)acetyl]amino]benzamide?
The IUPAC name of N-benzyl-4-[[2-(4-ethoxyanilino)acetyl]amino]benzamide (CID 54810964) is N-benzyl-4-[[2-(4-ethoxyanilino)acetyl]amino]benzamide.
What is the SMILES notation for N-benzyl-4-[[2-(4-ethoxyanilino)acetyl]amino]benzamide?
The canonical SMILES for N-benzyl-4-[[2-(4-ethoxyanilino)acetyl]amino]benzamide is CCOc1ccc(NCC(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)cc1.
What is the InChIKey of N-benzyl-4-[[2-(4-ethoxyanilino)acetyl]amino]benzamide?
The InChIKey is PPSATHBJXJZLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-2-30-22-14-12-20(13-15-22)25-17-23(28)27-21-10-8-19(9-11-21)24(29)26-16-18-6-4-3-5-7-18/h3-15,25H,2,16-17H2,1H3,(H,26,29)(H,27,28).
What are the key properties of N-benzyl-4-[[2-(4-ethoxyanilino)acetyl]amino]benzamide?
N-benzyl-4-[[2-(4-ethoxyanilino)acetyl]amino]benzamide has a molecular weight of 403.48 g/mol, XLogP of 4.07, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[[2-(4-ethoxyanilino)acetyl]amino]benzamide is sourced from PubChem (CID 54810964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).