2-methyl-N-[1-[4-[C-methyl-N-[(2-methylbenzoyl)amino]carbonimidoyl]phenyl]ethylideneamino]benzamide

C26H26N4O2 — CID 6792340

IUPAC2-methyl-N-[1-[4-[C-methyl-N-[(2-methylbenzoyl)amino]carbonimidoyl]phenyl]ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1ccccc1C)c1ccc(C(C)=NNC(=O)c2ccccc2C)cc1
InChIInChI=1S/C26H26N4O2/c1-17-9-5-7-11-23(17)25(31)29-27-19(3)21-13-15-22(16-14-21)20(4)28-30-26(32)24-12-8-6-10-18(24)2/h5-16H,1-4H3,(H,29,31)(H,30,32)
InChIKeyUGIJVCFTYUXFQR-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.61
Rot. Bonds6

About 2-methyl-N-[1-[4-[C-methyl-N-[(2-methylbenzoyl)amino]carbonimidoyl]phenyl]ethylideneamino]benzamide

2-methyl-N-[1-[4-[C-methyl-N-[(2-methylbenzoyl)amino]carbonimidoyl]phenyl]ethylideneamino]benzamide (PubChem CID 6792340) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 2-methyl-N-[1-[4-[C-methyl-N-[(2-methylbenzoyl)amino]carbonimidoyl]phenyl]ethylideneamino]benzamide.

Molecular Properties

Compound Name2-methyl-N-[1-[4-[C-methyl-N-[(2-methylbenzoyl)amino]carbonimidoyl]phenyl]ethylideneamino]benzamide
PubChem CID6792340
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Name2-methyl-N-[1-[4-[C-methyl-N-[(2-methylbenzoyl)amino]carbonimidoyl]phenyl]ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1ccccc1C)c1ccc(C(C)=NNC(=O)c2ccccc2C)cc1
InChIInChI=1S/C26H26N4O2/c1-17-9-5-7-11-23(17)25(31)29-27-19(3)21-13-15-22(16-14-21)20(4)28-30-26(32)24-12-8-6-10-18(24)2/h5-16H,1-4H3,(H,29,31)(H,30,32)
InChIKeyUGIJVCFTYUXFQR-UHFFFAOYSA-N
XLogP4.61
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-hydroxy-3-methylbenzamide
CID 17337861
2-methoxy-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide
CID 6152790
2-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]benzamide
CID 5428052
2-methyl-N-[1-(5-methylthiophen-2-yl)ethylideneamino]benzamide
CID 5096046
2-methyl-N-[(Z)-1-phenylpropylideneamino]benzamide
CID 5391962
2-amino-N-[(E)-1-(3,4-dimethylphenyl)ethylideneamino]benzamide
CID 21370947
N-[1-(4-acetamidophenyl)ethylideneamino]-2-chlorobenzamide
CID 1225540
2,5-dimethyl-N-[(Z)-1-(2-methylphenyl)ethylideneamino]furan-3-carboxamide
CID 8518516
2-hydroxy-3-methylbenzohydrazide;2-hydroxy-3-methyl-N-[(E)-1-phenylethylideneamino]benzamide;1-phenylethanone
CID 172953941
2-methyl-N-[(Z)-1-phenylbutylideneamino]benzamide
CID 6520046
N-[(E)-1-(2-methoxy-4-methylphenyl)ethylideneamino]-2-methylbenzamide
CID 75459911
3,4-dimethyl-N-[1-(4-phenylphenyl)ethylideneamino]benzamide
CID 4588942

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[4-[C-methyl-N-[(2-methylbenzoyl)amino]carbonimidoyl]phenyl]ethylideneamino]benzamide?
The IUPAC name of 2-methyl-N-[1-[4-[C-methyl-N-[(2-methylbenzoyl)amino]carbonimidoyl]phenyl]ethylideneamino]benzamide (CID 6792340) is 2-methyl-N-[1-[4-[C-methyl-N-[(2-methylbenzoyl)amino]carbonimidoyl]phenyl]ethylideneamino]benzamide.
What is the SMILES notation for 2-methyl-N-[1-[4-[C-methyl-N-[(2-methylbenzoyl)amino]carbonimidoyl]phenyl]ethylideneamino]benzamide?
The canonical SMILES for 2-methyl-N-[1-[4-[C-methyl-N-[(2-methylbenzoyl)amino]carbonimidoyl]phenyl]ethylideneamino]benzamide is CC(=NNC(=O)c1ccccc1C)c1ccc(C(C)=NNC(=O)c2ccccc2C)cc1.
What is the InChIKey of 2-methyl-N-[1-[4-[C-methyl-N-[(2-methylbenzoyl)amino]carbonimidoyl]phenyl]ethylideneamino]benzamide?
The InChIKey is UGIJVCFTYUXFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-17-9-5-7-11-23(17)25(31)29-27-19(3)21-13-15-22(16-14-21)20(4)28-30-26(32)24-12-8-6-10-18(24)2/h5-16H,1-4H3,(H,29,31)(H,30,32).
What are the key properties of 2-methyl-N-[1-[4-[C-methyl-N-[(2-methylbenzoyl)amino]carbonimidoyl]phenyl]ethylideneamino]benzamide?
2-methyl-N-[1-[4-[C-methyl-N-[(2-methylbenzoyl)amino]carbonimidoyl]phenyl]ethylideneamino]benzamide has a molecular weight of 426.52 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[4-[C-methyl-N-[(2-methylbenzoyl)amino]carbonimidoyl]phenyl]ethylideneamino]benzamide is sourced from PubChem (CID 6792340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).