3,4-dimethyl-N-[1-(4-phenylphenyl)ethylideneamino]benzamide

C23H22N2O — CID 4588942

IUPAC3,4-dimethyl-N-[1-(4-phenylphenyl)ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1ccc(C)c(C)c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H22N2O/c1-16-9-10-22(15-17(16)2)23(26)25-24-18(3)19-11-13-21(14-12-19)20-7-5-4-6-8-20/h4-15H,1-3H3,(H,25,26)
InChIKeyBJDWSUOTANDPFO-UHFFFAOYSA-N
MW342.44 g/mol
LogP5.12
Rot. Bonds4

About 3,4-dimethyl-N-[1-(4-phenylphenyl)ethylideneamino]benzamide

3,4-dimethyl-N-[1-(4-phenylphenyl)ethylideneamino]benzamide (PubChem CID 4588942) has the molecular formula C23H22N2O and a molecular weight of 342.44 g/mol. Its IUPAC name is 3,4-dimethyl-N-[1-(4-phenylphenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[1-(4-phenylphenyl)ethylideneamino]benzamide
PubChem CID4588942
Molecular FormulaC23H22N2O
Molecular Weight342.44 g/mol
Exact Mass342.17
IUPAC Name3,4-dimethyl-N-[1-(4-phenylphenyl)ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1ccc(C)c(C)c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H22N2O/c1-16-9-10-22(15-17(16)2)23(26)25-24-18(3)19-11-13-21(14-12-19)20-7-5-4-6-8-20/h4-15H,1-3H3,(H,25,26)
InChIKeyBJDWSUOTANDPFO-UHFFFAOYSA-N
XLogP5.12
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3,4-dimethyl-N-[1-(4-phenylphenyl)ethylideneamino]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

3-methyl-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]benzamide
CID 6271545
3,4-dimethyl-N-[(E)-1-(4-propylphenyl)ethylideneamino]benzamide
CID 19685204
3,4,5-trimethoxy-N-[(E)-1-(4-phenylphenyl)ethylideneamino]benzamide
CID 6005452
N-(4-oxopentan-2-ylideneamino)-4-phenylbenzamide
CID 2834282
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-phenylbenzamide
CID 5496134
2-amino-N-[(E)-1-(3,4-dimethylphenyl)ethylideneamino]benzamide
CID 21370947
3-nitro-N-[1-(4-phenylphenyl)ethylideneamino]benzamide
CID 1070769
N-[(Z)-1-(4-methylphenyl)ethylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide
CID 6116965
4-(diethylamino)-N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]benzamide
CID 7929054
3,5-ditert-butyl-4-hydroxy-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]benzamide
CID 6382208
N-[1-(3,4-dimethylphenyl)ethylideneamino]pyridine-3-carboxamide
CID 4683801
2-methyl-N-[1-[4-[C-methyl-N-[(2-methylbenzoyl)amino]carbonimidoyl]phenyl]ethylideneamino]benzamide
CID 6792340

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[1-(4-phenylphenyl)ethylideneamino]benzamide?
The IUPAC name of 3,4-dimethyl-N-[1-(4-phenylphenyl)ethylideneamino]benzamide (CID 4588942) is 3,4-dimethyl-N-[1-(4-phenylphenyl)ethylideneamino]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[1-(4-phenylphenyl)ethylideneamino]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[1-(4-phenylphenyl)ethylideneamino]benzamide is CC(=NNC(=O)c1ccc(C)c(C)c1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3,4-dimethyl-N-[1-(4-phenylphenyl)ethylideneamino]benzamide?
The InChIKey is BJDWSUOTANDPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O/c1-16-9-10-22(15-17(16)2)23(26)25-24-18(3)19-11-13-21(14-12-19)20-7-5-4-6-8-20/h4-15H,1-3H3,(H,25,26).
What are the key properties of 3,4-dimethyl-N-[1-(4-phenylphenyl)ethylideneamino]benzamide?
3,4-dimethyl-N-[1-(4-phenylphenyl)ethylideneamino]benzamide has a molecular weight of 342.44 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[1-(4-phenylphenyl)ethylideneamino]benzamide is sourced from PubChem (CID 4588942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).