(3Z)-3-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]-N-(2-phenylphenyl)butanamide

C25H25N3O4 — CID 6142780

IUPAC(3Z)-3-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]-N-(2-phenylphenyl)butanamide
SMILESCOc1ccc(OCC(=O)N/N=C(/C)CC(=O)Nc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C25H25N3O4/c1-18(27-28-25(30)17-32-21-14-12-20(31-2)13-15-21)16-24(29)26-23-11-7-6-10-22(23)19-8-4-3-5-9-19/h3-15H,16-17H2,1-2H3,(H,26,29)(H,28,30)/b27-18-
InChIKeyCLFMYICTXXDTKM-IMRQLAEWSA-N
MW431.49 g/mol
LogP4.26
Rot. Bonds9

About (3Z)-3-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]-N-(2-phenylphenyl)butanamide

(3Z)-3-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]-N-(2-phenylphenyl)butanamide (PubChem CID 6142780) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is (3Z)-3-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]-N-(2-phenylphenyl)butanamide.

Molecular Properties

Compound Name(3Z)-3-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]-N-(2-phenylphenyl)butanamide
PubChem CID6142780
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC Name(3Z)-3-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]-N-(2-phenylphenyl)butanamide
SMILESCOc1ccc(OCC(=O)N/N=C(/C)CC(=O)Nc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C25H25N3O4/c1-18(27-28-25(30)17-32-21-14-12-20(31-2)13-15-21)16-24(29)26-23-11-7-6-10-22(23)19-8-4-3-5-9-19/h3-15H,16-17H2,1-2H3,(H,26,29)(H,28,30)/b27-18-
InChIKeyCLFMYICTXXDTKM-IMRQLAEWSA-N
XLogP4.26
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

3-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]-N-(2-phenylphenyl)butanamide
CID 4187201
N-(2-chlorophenyl)-3-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]butanamide
CID 7227296
N-(4-bromophenyl)-3-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]butanamide
CID 3543666
N-(2,4-dimethoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]hydrazinylidene]butanamide
CID 3105692
(3Z)-3-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]-N-phenylbutanamide
CID 6387241
N-(4-fluorophenyl)-3-[(2-phenoxyacetyl)hydrazinylidene]butanamide
CID 15945779
N-(3-chloro-2-methylphenyl)-3-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]butanamide
CID 4665636
N-(3,3-dimethylbutan-2-ylideneamino)-2-(4-phenylphenoxy)acetamide
CID 3270938
N-(4-methoxyphenyl)-2-[2-oxo-2-(2-phenylanilino)ethyl]sulfinylacetamide
CID 1462946
N-[[4-(2-ethylanilino)-4-oxobutan-2-ylidene]amino]-4-methoxybenzamide
CID 585009
(3E)-N-(1,3-benzodioxol-5-yl)-3-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]butanamide
CID 17384616
N-[1-(6-methoxynaphthalen-2-yl)ethylideneamino]-2-(2-phenylphenoxy)acetamide
CID 4251072

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]-N-(2-phenylphenyl)butanamide?
The IUPAC name of (3Z)-3-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]-N-(2-phenylphenyl)butanamide (CID 6142780) is (3Z)-3-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]-N-(2-phenylphenyl)butanamide.
What is the SMILES notation for (3Z)-3-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]-N-(2-phenylphenyl)butanamide?
The canonical SMILES for (3Z)-3-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]-N-(2-phenylphenyl)butanamide is COc1ccc(OCC(=O)N/N=C(/C)CC(=O)Nc2ccccc2-c2ccccc2)cc1.
What is the InChIKey of (3Z)-3-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]-N-(2-phenylphenyl)butanamide?
The InChIKey is CLFMYICTXXDTKM-IMRQLAEWSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-18(27-28-25(30)17-32-21-14-12-20(31-2)13-15-21)16-24(29)26-23-11-7-6-10-22(23)19-8-4-3-5-9-19/h3-15H,16-17H2,1-2H3,(H,26,29)(H,28,30)/b27-18-.
What are the key properties of (3Z)-3-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]-N-(2-phenylphenyl)butanamide?
(3Z)-3-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]-N-(2-phenylphenyl)butanamide has a molecular weight of 431.49 g/mol, XLogP of 4.26, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]-N-(2-phenylphenyl)butanamide is sourced from PubChem (CID 6142780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).