3-[[2-(3,4-dimethoxyphenyl)acetyl]hydrazinylidene]-N-(2-methylphenyl)butanamide

C21H25N3O4 — CID 2876719

IUPAC3-[[2-(3,4-dimethoxyphenyl)acetyl]hydrazinylidene]-N-(2-methylphenyl)butanamide
SMILESCOc1ccc(CC(=O)NN=C(C)CC(=O)Nc2ccccc2C)cc1OC
InChIInChI=1S/C21H25N3O4/c1-14-7-5-6-8-17(14)22-20(25)11-15(2)23-24-21(26)13-16-9-10-18(27-3)19(12-16)28-4/h5-10,12H,11,13H2,1-4H3,(H,22,25)(H,24,26)
InChIKeyKGOWXTQNPTUERM-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.08
Rot. Bonds8

About 3-[[2-(3,4-dimethoxyphenyl)acetyl]hydrazinylidene]-N-(2-methylphenyl)butanamide

3-[[2-(3,4-dimethoxyphenyl)acetyl]hydrazinylidene]-N-(2-methylphenyl)butanamide (PubChem CID 2876719) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 3-[[2-(3,4-dimethoxyphenyl)acetyl]hydrazinylidene]-N-(2-methylphenyl)butanamide.

Molecular Properties

Compound Name3-[[2-(3,4-dimethoxyphenyl)acetyl]hydrazinylidene]-N-(2-methylphenyl)butanamide
PubChem CID2876719
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name3-[[2-(3,4-dimethoxyphenyl)acetyl]hydrazinylidene]-N-(2-methylphenyl)butanamide
SMILESCOc1ccc(CC(=O)NN=C(C)CC(=O)Nc2ccccc2C)cc1OC
InChIInChI=1S/C21H25N3O4/c1-14-7-5-6-8-17(14)22-20(25)11-15(2)23-24-21(26)13-16-9-10-18(27-3)19(12-16)28-4/h5-10,12H,11,13H2,1-4H3,(H,22,25)(H,24,26)
InChIKeyKGOWXTQNPTUERM-UHFFFAOYSA-N
XLogP3.08
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.08
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

2-(3,4-dimethoxyphenyl)-N-(2-methylphenyl)acetamide
CID 835508
2-(3-fluoro-4-methoxyphenyl)-N-(2-methylphenyl)acetamide
CID 9042833
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[2-(3,4-dimethoxyphenyl)acetyl]hydrazinylidene]butanamide
CID 3105585
3-[(3,4-dimethoxyphenyl)methylamino]-N-(2-methylphenyl)propanamide
CID 109028248
2-(3,4-dimethoxyphenyl)-N-(2-ethylphenyl)acetamide
CID 2674953
(3Z)-3-[[2-(3,4-dimethoxyphenyl)acetyl]hydrazinylidene]-N-(furan-2-ylmethyl)butanamide
CID 6283145
2-(3,4-dimethoxyphenyl)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 136715309
2-(3,4-dimethoxyphenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]acetamide
CID 112998555
N'-[(Z)-[4-[(2-methoxyphenyl)methylamino]-4-oxobutan-2-ylidene]amino]-N-(2-methylphenyl)oxamide
CID 7241523
N'-[[4-[(2-methoxyphenyl)methylamino]-4-oxobutan-2-ylidene]amino]-N-(2-methylphenyl)oxamide
CID 78464347
[1-(3,4-dimethoxyphenyl)propan-2-ylideneamino]urea
CID 2732243
3-[(2-methoxyacetyl)hydrazinylidene]-N-(2-methoxy-5-methylphenyl)butanamide
CID 542160

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3,4-dimethoxyphenyl)acetyl]hydrazinylidene]-N-(2-methylphenyl)butanamide?
The IUPAC name of 3-[[2-(3,4-dimethoxyphenyl)acetyl]hydrazinylidene]-N-(2-methylphenyl)butanamide (CID 2876719) is 3-[[2-(3,4-dimethoxyphenyl)acetyl]hydrazinylidene]-N-(2-methylphenyl)butanamide.
What is the SMILES notation for 3-[[2-(3,4-dimethoxyphenyl)acetyl]hydrazinylidene]-N-(2-methylphenyl)butanamide?
The canonical SMILES for 3-[[2-(3,4-dimethoxyphenyl)acetyl]hydrazinylidene]-N-(2-methylphenyl)butanamide is COc1ccc(CC(=O)NN=C(C)CC(=O)Nc2ccccc2C)cc1OC.
What is the InChIKey of 3-[[2-(3,4-dimethoxyphenyl)acetyl]hydrazinylidene]-N-(2-methylphenyl)butanamide?
The InChIKey is KGOWXTQNPTUERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-14-7-5-6-8-17(14)22-20(25)11-15(2)23-24-21(26)13-16-9-10-18(27-3)19(12-16)28-4/h5-10,12H,11,13H2,1-4H3,(H,22,25)(H,24,26).
What are the key properties of 3-[[2-(3,4-dimethoxyphenyl)acetyl]hydrazinylidene]-N-(2-methylphenyl)butanamide?
3-[[2-(3,4-dimethoxyphenyl)acetyl]hydrazinylidene]-N-(2-methylphenyl)butanamide has a molecular weight of 383.45 g/mol, XLogP of 3.08, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3,4-dimethoxyphenyl)acetyl]hydrazinylidene]-N-(2-methylphenyl)butanamide is sourced from PubChem (CID 2876719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).