(3E)-3-[(3,4-dimethylphenyl)hydrazinylidene]-N-phenylbutanamide

C18H21N3O — CID 143175976

IUPAC(3E)-3-[(3,4-dimethylphenyl)hydrazinylidene]-N-phenylbutanamide
SMILESC/C(CC(=O)Nc1ccccc1)=N\Nc1ccc(C)c(C)c1
InChIInChI=1S/C18H21N3O/c1-13-9-10-17(11-14(13)2)21-20-15(3)12-18(22)19-16-7-5-4-6-8-16/h4-11,21H,12H2,1-3H3,(H,19,22)/b20-15+
InChIKeyZTKXUPAHINUPOD-HMMYKYKNSA-N
MW295.39 g/mol
LogP4.12
Rot. Bonds5

About (3E)-3-[(3,4-dimethylphenyl)hydrazinylidene]-N-phenylbutanamide

(3E)-3-[(3,4-dimethylphenyl)hydrazinylidene]-N-phenylbutanamide (PubChem CID 143175976) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is (3E)-3-[(3,4-dimethylphenyl)hydrazinylidene]-N-phenylbutanamide.

Molecular Properties

Compound Name(3E)-3-[(3,4-dimethylphenyl)hydrazinylidene]-N-phenylbutanamide
PubChem CID143175976
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name(3E)-3-[(3,4-dimethylphenyl)hydrazinylidene]-N-phenylbutanamide
SMILESC/C(CC(=O)Nc1ccccc1)=N\Nc1ccc(C)c(C)c1
InChIInChI=1S/C18H21N3O/c1-13-9-10-17(11-14(13)2)21-20-15(3)12-18(22)19-16-7-5-4-6-8-16/h4-11,21H,12H2,1-3H3,(H,19,22)/b20-15+
InChIKeyZTKXUPAHINUPOD-HMMYKYKNSA-N
XLogP4.12
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 54.12
H-Bond Donors ≤ 52
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

(3E)-3-[(3,4-dimethylphenyl)hydrazinylidene]-N-phenylbutanamide;hydroxylamine
CID 143175975
3-[(4-methoxyphenyl)hydrazinylidene]-N-phenylbutanamide
CID 141011644
(3E)-3-(carbamoylhydrazinylidene)-N-phenylbutanamide
CID 15855253
N-[[4-(3,4-dimethylanilino)-4-oxobutan-2-ylidene]amino]pentanamide
CID 3923948
N'-phenyl-3-(phenylhydrazinylidene)butanehydrazide
CID 5122748
(3Z)-3-(carbamothioylhydrazinylidene)-N-phenylbutanamide
CID 5465204
(3Z)-N-(3-chloro-4-methylphenyl)-3-(3-phenylpropanoylhydrazinylidene)butanamide
CID 6041509
(3Z)-N-(4-methylphenyl)-3-[(2-phenylacetyl)hydrazinylidene]butanamide
CID 6386610
N-(3,4-dimethylphenyl)-4-oxo-4-[2-(phenylcarbamoyl)hydrazinyl]butanamide
CID 2377822
(3E)-N-(3-chloro-4-methylphenyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide
CID 171978918
3-oxo-N-phenylbutanamide
CID 161275903
N-(3,4-dimethylphenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 2684031

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(3,4-dimethylphenyl)hydrazinylidene]-N-phenylbutanamide?
The IUPAC name of (3E)-3-[(3,4-dimethylphenyl)hydrazinylidene]-N-phenylbutanamide (CID 143175976) is (3E)-3-[(3,4-dimethylphenyl)hydrazinylidene]-N-phenylbutanamide.
What is the SMILES notation for (3E)-3-[(3,4-dimethylphenyl)hydrazinylidene]-N-phenylbutanamide?
The canonical SMILES for (3E)-3-[(3,4-dimethylphenyl)hydrazinylidene]-N-phenylbutanamide is C/C(CC(=O)Nc1ccccc1)=N\Nc1ccc(C)c(C)c1.
What is the InChIKey of (3E)-3-[(3,4-dimethylphenyl)hydrazinylidene]-N-phenylbutanamide?
The InChIKey is ZTKXUPAHINUPOD-HMMYKYKNSA-N. The full InChI is InChI=1S/C18H21N3O/c1-13-9-10-17(11-14(13)2)21-20-15(3)12-18(22)19-16-7-5-4-6-8-16/h4-11,21H,12H2,1-3H3,(H,19,22)/b20-15+.
What are the key properties of (3E)-3-[(3,4-dimethylphenyl)hydrazinylidene]-N-phenylbutanamide?
(3E)-3-[(3,4-dimethylphenyl)hydrazinylidene]-N-phenylbutanamide has a molecular weight of 295.39 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(3,4-dimethylphenyl)hydrazinylidene]-N-phenylbutanamide is sourced from PubChem (CID 143175976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).