N-(2,5-dimethylphenyl)-3-[(2-ethylanilino)methyl]benzamide

C24H26N2O — CID 84554469

IUPACN-(2,5-dimethylphenyl)-3-[(2-ethylanilino)methyl]benzamide
SMILESCCc1ccccc1NCc1cccc(C(=O)Nc2cc(C)ccc2C)c1
InChIInChI=1S/C24H26N2O/c1-4-20-9-5-6-11-22(20)25-16-19-8-7-10-21(15-19)24(27)26-23-14-17(2)12-13-18(23)3/h5-15,25H,4,16H2,1-3H3,(H,26,27)
InChIKeyMIBAVTFPELSOTQ-UHFFFAOYSA-N
MW358.49 g/mol
LogP5.73
Rot. Bonds6

About N-(2,5-dimethylphenyl)-3-[(2-ethylanilino)methyl]benzamide

N-(2,5-dimethylphenyl)-3-[(2-ethylanilino)methyl]benzamide (PubChem CID 84554469) has the molecular formula C24H26N2O and a molecular weight of 358.49 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-3-[(2-ethylanilino)methyl]benzamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-3-[(2-ethylanilino)methyl]benzamide
PubChem CID84554469
Molecular FormulaC24H26N2O
Molecular Weight358.49 g/mol
Exact Mass358.20
IUPAC NameN-(2,5-dimethylphenyl)-3-[(2-ethylanilino)methyl]benzamide
SMILESCCc1ccccc1NCc1cccc(C(=O)Nc2cc(C)ccc2C)c1
InChIInChI=1S/C24H26N2O/c1-4-20-9-5-6-11-22(20)25-16-19-8-7-10-21(15-19)24(27)26-23-14-17(2)12-13-18(23)3/h5-15,25H,4,16H2,1-3H3,(H,26,27)
InChIKeyMIBAVTFPELSOTQ-UHFFFAOYSA-N
XLogP5.73
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.49
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[3-[(2-ethylanilino)methyl]benzoyl]amino]-4-methylbenzoic acid
CID 84554573
N-(3-acetamidophenyl)-3-[(2-ethylanilino)methyl]benzamide
CID 84554547
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
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(2-ethylanilino)methyl]benzamide
CID 84560554
N-(2,4-dimethoxyphenyl)-3-[(2-ethylanilino)methyl]benzamide
CID 84554519
1-(2,5-dimethylphenyl)-3-(2-ethylphenyl)urea
CID 17270131
3-[(2-ethylanilino)methyl]-N-(4-sulfamoylphenyl)benzamide
CID 84554523
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-[(2-ethylanilino)methyl]benzamide
CID 84554495
3-[(2-ethylanilino)methyl]-N,N-dimethylbenzamide
CID 84558207
[4-[[3-[(2-ethylanilino)methyl]benzoyl]amino]phenyl] thiocyanate
CID 84554554

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-3-[(2-ethylanilino)methyl]benzamide?
The IUPAC name of N-(2,5-dimethylphenyl)-3-[(2-ethylanilino)methyl]benzamide (CID 84554469) is N-(2,5-dimethylphenyl)-3-[(2-ethylanilino)methyl]benzamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-3-[(2-ethylanilino)methyl]benzamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-3-[(2-ethylanilino)methyl]benzamide is CCc1ccccc1NCc1cccc(C(=O)Nc2cc(C)ccc2C)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-3-[(2-ethylanilino)methyl]benzamide?
The InChIKey is MIBAVTFPELSOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O/c1-4-20-9-5-6-11-22(20)25-16-19-8-7-10-21(15-19)24(27)26-23-14-17(2)12-13-18(23)3/h5-15,25H,4,16H2,1-3H3,(H,26,27).
What are the key properties of N-(2,5-dimethylphenyl)-3-[(2-ethylanilino)methyl]benzamide?
N-(2,5-dimethylphenyl)-3-[(2-ethylanilino)methyl]benzamide has a molecular weight of 358.49 g/mol, XLogP of 5.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-3-[(2-ethylanilino)methyl]benzamide is sourced from PubChem (CID 84554469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).