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

C21H24N2O — CID 3833151

IUPAC4-tert-butyl-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide
SMILESCC(C=NNC(=O)c1ccc(C(C)(C)C)cc1)=Cc1ccccc1
InChIInChI=1S/C21H24N2O/c1-16(14-17-8-6-5-7-9-17)15-22-23-20(24)18-10-12-19(13-11-18)21(2,3)4/h5-15H,1-4H3,(H,23,24)
InChIKeyYCYXSHRAHRCSFQ-UHFFFAOYSA-N
MW320.44 g/mol
LogP4.80
Rot. Bonds4

About 4-tert-butyl-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide

4-tert-butyl-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide (PubChem CID 3833151) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is 4-tert-butyl-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide
PubChem CID3833151
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name4-tert-butyl-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide
SMILESCC(C=NNC(=O)c1ccc(C(C)(C)C)cc1)=Cc1ccccc1
InChIInChI=1S/C21H24N2O/c1-16(14-17-8-6-5-7-9-17)15-22-23-20(24)18-10-12-19(13-11-18)21(2,3)4/h5-15H,1-4H3,(H,23,24)
InChIKeyYCYXSHRAHRCSFQ-UHFFFAOYSA-N
XLogP4.80
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.80
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-methyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide
CID 51060496
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
3-methyl-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide
CID 4175979
2-hydroxy-N-[(2-methyl-3-phenylprop-2-enylidene)amino]-2,2-diphenylacetamide
CID 4156814
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
2-hydroxy-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide
CID 6898776
4-methyl-N-[2-[(2E)-2-[(Z)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 45054169
2-fluoro-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide
CID 4996860
2-bromo-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide
CID 5398003

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide?
The IUPAC name of 4-tert-butyl-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide (CID 3833151) is 4-tert-butyl-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide?
The canonical SMILES for 4-tert-butyl-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide is CC(C=NNC(=O)c1ccc(C(C)(C)C)cc1)=Cc1ccccc1.
What is the InChIKey of 4-tert-butyl-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide?
The InChIKey is YCYXSHRAHRCSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c1-16(14-17-8-6-5-7-9-17)15-22-23-20(24)18-10-12-19(13-11-18)21(2,3)4/h5-15H,1-4H3,(H,23,24).
What are the key properties of 4-tert-butyl-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide?
4-tert-butyl-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide has a molecular weight of 320.44 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide is sourced from PubChem (CID 3833151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).