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

C18H18N2O — CID 51060496

IUPAC4-methyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide
SMILESCC(=C/c1ccccc1)/C=N/NC(=O)c1ccc(C)cc1
InChIInChI=1S/C18H18N2O/c1-14-8-10-17(11-9-14)18(21)20-19-13-15(2)12-16-6-4-3-5-7-16/h3-13H,1-2H3,(H,20,21)/b15-12-,19-13+
InChIKeyLCIXICMFEFQRGT-WAZQMIMHSA-N
MW278.35 g/mol
LogP3.81
Rot. Bonds4

About 4-methyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide

4-methyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide (PubChem CID 51060496) has the molecular formula C18H18N2O and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-methyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide.

Molecular Properties

Compound Name4-methyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide
PubChem CID51060496
Molecular FormulaC18H18N2O
Molecular Weight278.35 g/mol
Exact Mass278.14
IUPAC Name4-methyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide
SMILESCC(=C/c1ccccc1)/C=N/NC(=O)c1ccc(C)cc1
InChIInChI=1S/C18H18N2O/c1-14-8-10-17(11-9-14)18(21)20-19-13-15(2)12-16-6-4-3-5-7-16/h3-13H,1-2H3,(H,20,21)/b15-12-,19-13+
InChIKeyLCIXICMFEFQRGT-WAZQMIMHSA-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

4-tert-butyl-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide
CID 3833151
4-methyl-N-[2-[(2E)-2-[(Z)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 45054169
3-methyl-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide
CID 4175979
N-[[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-4-[(2E)-2-(2-methyl-3-phenylprop-2-enylidene)hydrazinyl]benzamide;sulfuric acid
CID 84582855
N-[(2-methyl-3-phenylprop-2-enylidene)amino]-4-prop-2-enoxybenzamide
CID 75610197
N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 6048763
3-bromo-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide
CID 6155802
3,4-dimethoxy-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide
CID 6874229
4-methyl-N-[4-[[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]carbamoyl]phenyl]benzamide
CID 171135893
2-hydroxy-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide
CID 6898776
4-methyl-N-[(2-methyl-3-phenylprop-2-enylidene)amino]-3-nitrobenzamide
CID 840697
2-methyl-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-3H-benzimidazole-5-carboxamide
CID 5405538

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide?
The IUPAC name of 4-methyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide (CID 51060496) is 4-methyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide.
What is the SMILES notation for 4-methyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide?
The canonical SMILES for 4-methyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide is CC(=C/c1ccccc1)/C=N/NC(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide?
The InChIKey is LCIXICMFEFQRGT-WAZQMIMHSA-N. The full InChI is InChI=1S/C18H18N2O/c1-14-8-10-17(11-9-14)18(21)20-19-13-15(2)12-16-6-4-3-5-7-16/h3-13H,1-2H3,(H,20,21)/b15-12-,19-13+.
What are the key properties of 4-methyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide?
4-methyl-N-[(E)-[(Z)-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 4-methyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide is sourced from PubChem (CID 51060496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).