3-[(4-methoxyphenyl)hydrazinylidene]-N-phenylbutanamide

C17H19N3O2 — CID 141011644

IUPAC3-[(4-methoxyphenyl)hydrazinylidene]-N-phenylbutanamide
SMILESCOc1ccc(NN=C(C)CC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C17H19N3O2/c1-13(12-17(21)18-14-6-4-3-5-7-14)19-20-15-8-10-16(22-2)11-9-15/h3-11,20H,12H2,1-2H3,(H,18,21)
InChIKeyZRXVXTSCZNMYBN-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.51
Rot. Bonds6

About 3-[(4-methoxyphenyl)hydrazinylidene]-N-phenylbutanamide

3-[(4-methoxyphenyl)hydrazinylidene]-N-phenylbutanamide (PubChem CID 141011644) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)hydrazinylidene]-N-phenylbutanamide.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)hydrazinylidene]-N-phenylbutanamide
PubChem CID141011644
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name3-[(4-methoxyphenyl)hydrazinylidene]-N-phenylbutanamide
SMILESCOc1ccc(NN=C(C)CC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C17H19N3O2/c1-13(12-17(21)18-14-6-4-3-5-7-14)19-20-15-8-10-16(22-2)11-9-15/h3-11,20H,12H2,1-2H3,(H,18,21)
InChIKeyZRXVXTSCZNMYBN-UHFFFAOYSA-N
XLogP3.51
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.51
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'-(4-methoxyphenyl)-N-phenylpropanediamide
CID 15154641
(3Z)-N-(4-methoxyphenyl)-3-[[(2S)-2-methoxy-2-phenylacetyl]hydrazinylidene]butanamide
CID 40521153
N-[(Z)-(4-anilino-4-oxobutan-2-ylidene)amino]-4-methoxybenzamide
CID 6382258
(3Z)-N-(4-methoxyphenyl)-3-(3-phenylpropanoylhydrazinylidene)butanamide
CID 6382811
4-[(4-methoxyphenyl)hydrazinylidene]pentanoic acid
CID 131854983
(3E)-3-[(3,4-dimethylphenyl)hydrazinylidene]-N-phenylbutanamide
CID 143175976
(4-methoxyphenyl)methyl N-[(Z)-[4-(4-anilinoanilino)-4-oxobutan-2-ylidene]amino]carbamate
CID 6382636
(3E)-3-[(3,4-dimethylphenyl)hydrazinylidene]-N-phenylbutanamide;hydroxylamine
CID 143175975
N-[(E)-1-(4-methoxyphenyl)propan-2-ylideneamino]aniline
CID 6005812
2-(4-methoxyanilino)-N-phenylacetamide
CID 7636829
(2E,3E)-2-hydroxyimino-3-[(4-methoxyphenyl)hydrazinylidene]-N-phenylbutanamide
CID 136662570
methyl (4E)-4-(phenylhydrazinylidene)pentanoate
CID 5355076

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)hydrazinylidene]-N-phenylbutanamide?
The IUPAC name of 3-[(4-methoxyphenyl)hydrazinylidene]-N-phenylbutanamide (CID 141011644) is 3-[(4-methoxyphenyl)hydrazinylidene]-N-phenylbutanamide.
What is the SMILES notation for 3-[(4-methoxyphenyl)hydrazinylidene]-N-phenylbutanamide?
The canonical SMILES for 3-[(4-methoxyphenyl)hydrazinylidene]-N-phenylbutanamide is COc1ccc(NN=C(C)CC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)hydrazinylidene]-N-phenylbutanamide?
The InChIKey is ZRXVXTSCZNMYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-13(12-17(21)18-14-6-4-3-5-7-14)19-20-15-8-10-16(22-2)11-9-15/h3-11,20H,12H2,1-2H3,(H,18,21).
What are the key properties of 3-[(4-methoxyphenyl)hydrazinylidene]-N-phenylbutanamide?
3-[(4-methoxyphenyl)hydrazinylidene]-N-phenylbutanamide has a molecular weight of 297.36 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)hydrazinylidene]-N-phenylbutanamide is sourced from PubChem (CID 141011644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).