N-(3-acetamidophenyl)-3-[(2-ethylanilino)methyl]benzamide

C24H25N3O2 — CID 84554547

IUPACN-(3-acetamidophenyl)-3-[(2-ethylanilino)methyl]benzamide
SMILESCCc1ccccc1NCc1cccc(C(=O)Nc2cccc(NC(C)=O)c2)c1
InChIInChI=1S/C24H25N3O2/c1-3-19-9-4-5-13-23(19)25-16-18-8-6-10-20(14-18)24(29)27-22-12-7-11-21(15-22)26-17(2)28/h4-15,25H,3,16H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyJSRWVRUBJMPLJI-UHFFFAOYSA-N
MW387.48 g/mol
LogP5.07
Rot. Bonds7

About N-(3-acetamidophenyl)-3-[(2-ethylanilino)methyl]benzamide

N-(3-acetamidophenyl)-3-[(2-ethylanilino)methyl]benzamide (PubChem CID 84554547) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-3-[(2-ethylanilino)methyl]benzamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-3-[(2-ethylanilino)methyl]benzamide
PubChem CID84554547
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC NameN-(3-acetamidophenyl)-3-[(2-ethylanilino)methyl]benzamide
SMILESCCc1ccccc1NCc1cccc(C(=O)Nc2cccc(NC(C)=O)c2)c1
InChIInChI=1S/C24H25N3O2/c1-3-19-9-4-5-13-23(19)25-16-18-8-6-10-20(14-18)24(29)27-22-12-7-11-21(15-22)26-17(2)28/h4-15,25H,3,16H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyJSRWVRUBJMPLJI-UHFFFAOYSA-N
XLogP5.07
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 55.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3-[(2-ethylanilino)methyl]benzoyl]amino]benzoic acid
CID 84554499
N-(3-bromophenyl)-3-[(2-ethylanilino)methyl]benzamide
CID 84554489
methyl 4-[[3-[(2-ethylanilino)methyl]benzoyl]amino]benzoate
CID 84554562
butyl 3-[[3-[(2-ethylanilino)methyl]benzoyl]amino]benzoate
CID 84554578
3-[(2-ethylanilino)methyl]-N-(4-sulfamoylphenyl)benzamide
CID 84554523
[4-[[3-[(2-ethylanilino)methyl]benzoyl]amino]phenyl] thiocyanate
CID 84554554
3-[(2-ethylanilino)methyl]-N-(3-fluoro-4-nitrophenyl)benzamide
CID 84554658
N-(2,5-dimethylphenyl)-3-[(2-ethylanilino)methyl]benzamide
CID 84554469
3-[[3-[(2-ethylanilino)methyl]benzoyl]amino]-4-methylbenzoic acid
CID 84554573
3-[(2-ethylanilino)methyl]-N,N-dimethylbenzamide
CID 84558207
N-(2,4-dimethoxyphenyl)-3-[(2-ethylanilino)methyl]benzamide
CID 84554519
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(2-ethylanilino)methyl]benzamide
CID 84560554

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-3-[(2-ethylanilino)methyl]benzamide?
The IUPAC name of N-(3-acetamidophenyl)-3-[(2-ethylanilino)methyl]benzamide (CID 84554547) is N-(3-acetamidophenyl)-3-[(2-ethylanilino)methyl]benzamide.
What is the SMILES notation for N-(3-acetamidophenyl)-3-[(2-ethylanilino)methyl]benzamide?
The canonical SMILES for N-(3-acetamidophenyl)-3-[(2-ethylanilino)methyl]benzamide is CCc1ccccc1NCc1cccc(C(=O)Nc2cccc(NC(C)=O)c2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-3-[(2-ethylanilino)methyl]benzamide?
The InChIKey is JSRWVRUBJMPLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-3-19-9-4-5-13-23(19)25-16-18-8-6-10-20(14-18)24(29)27-22-12-7-11-21(15-22)26-17(2)28/h4-15,25H,3,16H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of N-(3-acetamidophenyl)-3-[(2-ethylanilino)methyl]benzamide?
N-(3-acetamidophenyl)-3-[(2-ethylanilino)methyl]benzamide has a molecular weight of 387.48 g/mol, XLogP of 5.07, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-3-[(2-ethylanilino)methyl]benzamide is sourced from PubChem (CID 84554547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).