(3E)-N-(4-ethoxyphenyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide

C26H27N3O3 — CID 171978946

IUPAC(3E)-N-(4-ethoxyphenyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide
SMILESCCOc1ccc(NC(=O)C/C(C)=N/NC(=O)Cc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C26H27N3O3/c1-3-32-24-15-13-23(14-16-24)27-25(30)17-19(2)28-29-26(31)18-20-9-11-22(12-10-20)21-7-5-4-6-8-21/h4-16H,3,17-18H2,1-2H3,(H,27,30)(H,29,31)/b28-19+
InChIKeyYOURGHDFBFZACP-TURZUDJPSA-N
MW429.52 g/mol
LogP4.82
Rot. Bonds9

About (3E)-N-(4-ethoxyphenyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide

(3E)-N-(4-ethoxyphenyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide (PubChem CID 171978946) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is (3E)-N-(4-ethoxyphenyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide.

Molecular Properties

Compound Name(3E)-N-(4-ethoxyphenyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide
PubChem CID171978946
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC Name(3E)-N-(4-ethoxyphenyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide
SMILESCCOc1ccc(NC(=O)C/C(C)=N/NC(=O)Cc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C26H27N3O3/c1-3-32-24-15-13-23(14-16-24)27-25(30)17-19(2)28-29-26(31)18-20-9-11-22(12-10-20)21-7-5-4-6-8-21/h4-16H,3,17-18H2,1-2H3,(H,27,30)(H,29,31)/b28-19+
InChIKeyYOURGHDFBFZACP-TURZUDJPSA-N
XLogP4.82
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.82
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

(3Z)-N-(4-methylphenyl)-3-[(2-phenylacetyl)hydrazinylidene]butanamide
CID 6386610
N-[(Z)-[4-(4-ethoxyanilino)-4-oxobutan-2-ylidene]amino]pentanamide
CID 6104390
(3E)-N-(3-chloro-4-methylphenyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide
CID 171978918
N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-2-phenylacetamide
CID 5399435
N-(9-ethylcarbazol-3-yl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide
CID 3107347
N-(4-ethoxyphenyl)-N'-[(E)-4-phenylbutan-2-ylideneamino]oxamide
CID 7700055
N-(4-fluorophenyl)-3-[(2-phenoxyacetyl)hydrazinylidene]butanamide
CID 15945779
(3Z)-3-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]-N-phenylbutanamide
CID 6387241
ethyl 3-[[4-(4-ethoxyanilino)-4-oxobutanoyl]hydrazinylidene]butanoate
CID 5118044
3-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]-N-(4-phenylmethoxyphenyl)butanamide
CID 3484863
(3Z)-N-(4-methoxyphenyl)-3-(3-phenylpropanoylhydrazinylidene)butanamide
CID 6382811
(3E)-N-(3-chloro-2-methylphenyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide
CID 46501151

Frequently Asked Questions

What is the IUPAC name of (3E)-N-(4-ethoxyphenyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide?
The IUPAC name of (3E)-N-(4-ethoxyphenyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide (CID 171978946) is (3E)-N-(4-ethoxyphenyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide.
What is the SMILES notation for (3E)-N-(4-ethoxyphenyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide?
The canonical SMILES for (3E)-N-(4-ethoxyphenyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide is CCOc1ccc(NC(=O)C/C(C)=N/NC(=O)Cc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of (3E)-N-(4-ethoxyphenyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide?
The InChIKey is YOURGHDFBFZACP-TURZUDJPSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-3-32-24-15-13-23(14-16-24)27-25(30)17-19(2)28-29-26(31)18-20-9-11-22(12-10-20)21-7-5-4-6-8-21/h4-16H,3,17-18H2,1-2H3,(H,27,30)(H,29,31)/b28-19+.
What are the key properties of (3E)-N-(4-ethoxyphenyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide?
(3E)-N-(4-ethoxyphenyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide has a molecular weight of 429.52 g/mol, XLogP of 4.82, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-(4-ethoxyphenyl)-3-[[2-(4-phenylphenyl)acetyl]hydrazinylidene]butanamide is sourced from PubChem (CID 171978946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).