1-N-benzyl-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide

C23H22N2O2 — CID 109046713

IUPAC1-N-benzyl-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide
SMILESCCc1ccccc1NC(=O)c1ccc(C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C23H22N2O2/c1-2-18-10-6-7-11-21(18)25-23(27)20-14-12-19(13-15-20)22(26)24-16-17-8-4-3-5-9-17/h3-15H,2,16H2,1H3,(H,24,26)(H,25,27)
InChIKeyXOBOWUGRIRZMNK-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.43
Rot. Bonds6

About 1-N-benzyl-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide

1-N-benzyl-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide (PubChem CID 109046713) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 1-N-benzyl-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-benzyl-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide
PubChem CID109046713
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name1-N-benzyl-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide
SMILESCCc1ccccc1NC(=O)c1ccc(C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C23H22N2O2/c1-2-18-10-6-7-11-21(18)25-23(27)20-14-12-19(13-15-20)22(26)24-16-17-8-4-3-5-9-17/h3-15H,2,16H2,1H3,(H,24,26)(H,25,27)
InChIKeyXOBOWUGRIRZMNK-UHFFFAOYSA-N
XLogP4.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-N-benzyl-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide 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-(2-ethylphenyl)-4-[(2-phenylacetyl)amino]benzamide
CID 17119447
1-N-benzyl-4-N-(4-ethylphenyl)benzene-1,4-dicarboxamide
CID 109046714
N-benzyl-N'-(2-ethylphenyl)propanediamide
CID 108945270
4-(aminomethyl)-N-(2-ethylphenyl)benzamide
CID 16782121
4-ethyl-N-[2-(methylaminomethyl)phenyl]benzamide
CID 43601035
4-carbamothioyl-N-(2-ethylphenyl)benzamide
CID 24701892
N-(2-ethylphenyl)-5-[[(4-methylbenzoyl)amino]methyl]furan-2-carboxamide
CID 22587881
N-benzyl-4-[4-(benzylcarbamoyl)benzoyl]benzamide
CID 20598592
N-benzyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 895615
4-ethyl-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide
CID 26678506
1-N-[3-(dimethylamino)propyl]-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide
CID 109046007
N-(2-aminophenyl)-4-[[(2-phenylacetyl)amino]methyl]benzamide
CID 11348920

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-benzyl-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide (CID 109046713) is 1-N-benzyl-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-benzyl-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-benzyl-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide is CCc1ccccc1NC(=O)c1ccc(C(=O)NCc2ccccc2)cc1.
What is the InChIKey of 1-N-benzyl-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide?
The InChIKey is XOBOWUGRIRZMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-2-18-10-6-7-11-21(18)25-23(27)20-14-12-19(13-15-20)22(26)24-16-17-8-4-3-5-9-17/h3-15H,2,16H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 1-N-benzyl-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide?
1-N-benzyl-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide has a molecular weight of 358.44 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109046713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).