2,4-dimethyl-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]benzamide

C28H25N3O — CID 6901568

IUPAC2,4-dimethyl-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]benzamide
SMILESCc1ccc(C(=O)N/N=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)c(C)c1
InChIInChI=1S/C28H25N3O/c1-21-13-18-27(22(2)19-21)28(32)30-29-20-23-14-16-26(17-15-23)31(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-20H,1-2H3,(H,30,32)/b29-20+
InChIKeyBGEPOUPMKXUGSV-ZTKZIYFRSA-N
MW419.53 g/mol
LogP6.54
Rot. Bonds6

About 2,4-dimethyl-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]benzamide

2,4-dimethyl-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]benzamide (PubChem CID 6901568) has the molecular formula C28H25N3O and a molecular weight of 419.53 g/mol. Its IUPAC name is 2,4-dimethyl-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]benzamide
PubChem CID6901568
Molecular FormulaC28H25N3O
Molecular Weight419.53 g/mol
Exact Mass419.20
IUPAC Name2,4-dimethyl-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]benzamide
SMILESCc1ccc(C(=O)N/N=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)c(C)c1
InChIInChI=1S/C28H25N3O/c1-21-13-18-27(22(2)19-21)28(32)30-29-20-23-14-16-26(17-15-23)31(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-20H,1-2H3,(H,30,32)/b29-20+
InChIKeyBGEPOUPMKXUGSV-ZTKZIYFRSA-N
XLogP6.54
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.53
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]furan-3-carboxamide
CID 5223464
2-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide
CID 5405615
N-methyl-N'-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]propanediamide
CID 58350172
ethyl N-[[4-(N-phenylanilino)phenyl]methylideneamino]carbamate
CID 4538267
2,4-dimethyl-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide
CID 7392408
2,5-dimethyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide
CID 5171617
3-hydroxy-N-[(E)-[4-(N-methylanilino)phenyl]methylideneamino]naphthalene-2-carboxamide
CID 6903267
4-[(E)-[(2-bromobenzoyl)hydrazinylidene]methyl]-N-hydroxy-2-methylbenzamide
CID 168908017
6-oxo-6-[(2E)-2-[[4-(N-phenylanilino)phenyl]methylidene]hydrazinyl]hexanoic acid
CID 44621714
N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-2-hydroxybenzamide
CID 5419171
N-[(E)-benzylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133143773
ethyl N-[(Z)-[4-(N-methylanilino)phenyl]methylideneamino]carbamate
CID 6268460

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]benzamide?
The IUPAC name of 2,4-dimethyl-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]benzamide (CID 6901568) is 2,4-dimethyl-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]benzamide.
What is the SMILES notation for 2,4-dimethyl-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]benzamide?
The canonical SMILES for 2,4-dimethyl-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]benzamide is Cc1ccc(C(=O)N/N=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]benzamide?
The InChIKey is BGEPOUPMKXUGSV-ZTKZIYFRSA-N. The full InChI is InChI=1S/C28H25N3O/c1-21-13-18-27(22(2)19-21)28(32)30-29-20-23-14-16-26(17-15-23)31(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-20H,1-2H3,(H,30,32)/b29-20+.
What are the key properties of 2,4-dimethyl-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]benzamide?
2,4-dimethyl-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]benzamide has a molecular weight of 419.53 g/mol, XLogP of 6.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]benzamide is sourced from PubChem (CID 6901568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).