3-methyl-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide

C18H18N2O — CID 4175979

IUPAC3-methyl-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide
SMILESCC(C=NNC(=O)c1cccc(C)c1)=Cc1ccccc1
InChIInChI=1S/C18H18N2O/c1-14-7-6-10-17(12-14)18(21)20-19-13-15(2)11-16-8-4-3-5-9-16/h3-13H,1-2H3,(H,20,21)
InChIKeyWEPXHBQZIUXCOO-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.81
Rot. Bonds4

About 3-methyl-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide

3-methyl-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide (PubChem CID 4175979) has the molecular formula C18H18N2O and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-methyl-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide.

Molecular Properties

Compound Name3-methyl-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide
PubChem CID4175979
Molecular FormulaC18H18N2O
Molecular Weight278.35 g/mol
Exact Mass278.14
IUPAC Name3-methyl-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide
SMILESCC(C=NNC(=O)c1cccc(C)c1)=Cc1ccccc1
InChIInChI=1S/C18H18N2O/c1-14-7-6-10-17(12-14)18(21)20-19-13-15(2)11-16-8-4-3-5-9-16/h3-13H,1-2H3,(H,20,21)
InChIKeyWEPXHBQZIUXCOO-UHFFFAOYSA-N
XLogP3.81
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.81
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'}

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Related Compounds

3-bromo-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide
CID 6155802
4-methyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide
CID 51060496
2-methyl-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-3H-benzimidazole-5-carboxamide
CID 5405538
3,4-dimethoxy-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide
CID 6874229
4-tert-butyl-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide
CID 3833151
3-methyl-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5394581
4-methyl-N-[(2-methyl-3-phenylprop-2-enylidene)amino]-3-nitrobenzamide
CID 840697
N-(3-methylphenyl)-N'-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]oxamide
CID 99907772
N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 6048763
2-hydroxy-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide
CID 6898776
N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-4-[(2E)-2-(2-methyl-3-phenylprop-2-enylidene)hydrazinyl]benzamide;sulfuric acid
CID 84582855
3-methoxy-N-[(2-methoxy-3-phenylprop-2-enylidene)amino]benzamide
CID 3582022

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide?
The IUPAC name of 3-methyl-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide (CID 4175979) is 3-methyl-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide.
What is the SMILES notation for 3-methyl-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide?
The canonical SMILES for 3-methyl-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide is CC(C=NNC(=O)c1cccc(C)c1)=Cc1ccccc1.
What is the InChIKey of 3-methyl-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide?
The InChIKey is WEPXHBQZIUXCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-14-7-6-10-17(12-14)18(21)20-19-13-15(2)11-16-8-4-3-5-9-16/h3-13H,1-2H3,(H,20,21).
What are the key properties of 3-methyl-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide?
3-methyl-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide has a molecular weight of 278.35 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide is sourced from PubChem (CID 4175979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).