methyl 4-[[3-[(2-ethylanilino)methyl]benzoyl]amino]benzoate

C24H24N2O3 — CID 84554562

IUPACmethyl 4-[[3-[(2-ethylanilino)methyl]benzoyl]amino]benzoate
SMILESCCc1ccccc1NCc1cccc(C(=O)Nc2ccc(C(=O)OC)cc2)c1
InChIInChI=1S/C24H24N2O3/c1-3-18-8-4-5-10-22(18)25-16-17-7-6-9-20(15-17)23(27)26-21-13-11-19(12-14-21)24(28)29-2/h4-15,25H,3,16H2,1-2H3,(H,26,27)
InChIKeyIUWVJYCCYBUWMK-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.90
Rot. Bonds7

About methyl 4-[[3-[(2-ethylanilino)methyl]benzoyl]amino]benzoate

methyl 4-[[3-[(2-ethylanilino)methyl]benzoyl]amino]benzoate (PubChem CID 84554562) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is methyl 4-[[3-[(2-ethylanilino)methyl]benzoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[3-[(2-ethylanilino)methyl]benzoyl]amino]benzoate
PubChem CID84554562
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Namemethyl 4-[[3-[(2-ethylanilino)methyl]benzoyl]amino]benzoate
SMILESCCc1ccccc1NCc1cccc(C(=O)Nc2ccc(C(=O)OC)cc2)c1
InChIInChI=1S/C24H24N2O3/c1-3-18-8-4-5-10-22(18)25-16-17-7-6-9-20(15-17)23(27)26-21-13-11-19(12-14-21)24(28)29-2/h4-15,25H,3,16H2,1-2H3,(H,26,27)
InChIKeyIUWVJYCCYBUWMK-UHFFFAOYSA-N
XLogP4.90
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamidophenyl)-3-[(2-ethylanilino)methyl]benzamide
CID 84554547
3-[(2-ethylanilino)methyl]-N-(4-sulfamoylphenyl)benzamide
CID 84554523
3-[[3-[(2-ethylanilino)methyl]benzoyl]amino]benzoic acid
CID 84554499
[4-[[3-[(2-ethylanilino)methyl]benzoyl]amino]phenyl] thiocyanate
CID 84554554
N-(3-bromophenyl)-3-[(2-ethylanilino)methyl]benzamide
CID 84554489
butyl 3-[[3-[(2-ethylanilino)methyl]benzoyl]amino]benzoate
CID 84554578
N-(2,4-dimethoxyphenyl)-3-[(2-ethylanilino)methyl]benzamide
CID 84554519
3-[[3-[(2-ethylanilino)methyl]benzoyl]amino]-4-methylbenzoic acid
CID 84554573
3-[(2-ethylanilino)methyl]-N-(3-fluoro-4-nitrophenyl)benzamide
CID 84554658
N-(2,5-dimethylphenyl)-3-[(2-ethylanilino)methyl]benzamide
CID 84554469
3-[(2-ethylanilino)methyl]-N,N-dimethylbenzamide
CID 84558207
1-N-(4-acetylphenyl)-3-N-(2-ethylphenyl)benzene-1,3-dicarboxamide
CID 109057295

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[3-[(2-ethylanilino)methyl]benzoyl]amino]benzoate?
The IUPAC name of methyl 4-[[3-[(2-ethylanilino)methyl]benzoyl]amino]benzoate (CID 84554562) is methyl 4-[[3-[(2-ethylanilino)methyl]benzoyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[3-[(2-ethylanilino)methyl]benzoyl]amino]benzoate?
The canonical SMILES for methyl 4-[[3-[(2-ethylanilino)methyl]benzoyl]amino]benzoate is CCc1ccccc1NCc1cccc(C(=O)Nc2ccc(C(=O)OC)cc2)c1.
What is the InChIKey of methyl 4-[[3-[(2-ethylanilino)methyl]benzoyl]amino]benzoate?
The InChIKey is IUWVJYCCYBUWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-3-18-8-4-5-10-22(18)25-16-17-7-6-9-20(15-17)23(27)26-21-13-11-19(12-14-21)24(28)29-2/h4-15,25H,3,16H2,1-2H3,(H,26,27).
What are the key properties of methyl 4-[[3-[(2-ethylanilino)methyl]benzoyl]amino]benzoate?
methyl 4-[[3-[(2-ethylanilino)methyl]benzoyl]amino]benzoate has a molecular weight of 388.47 g/mol, XLogP of 4.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[3-[(2-ethylanilino)methyl]benzoyl]amino]benzoate is sourced from PubChem (CID 84554562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).