3-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]-N-(2-methylpropyl)butanamide

C17H25N3O4 — CID 3829481

IUPAC3-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]-N-(2-methylpropyl)butanamide
SMILESCOc1ccccc1OCC(=O)NN=C(C)CC(=O)NCC(C)C
InChIInChI=1S/C17H25N3O4/c1-12(2)10-18-16(21)9-13(3)19-20-17(22)11-24-15-8-6-5-7-14(15)23-4/h5-8,12H,9-11H2,1-4H3,(H,18,21)(H,20,22)
InChIKeyGEXOYNNMFZDXQQ-UHFFFAOYSA-N
MW335.40 g/mol
LogP1.73
Rot. Bonds9

About 3-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]-N-(2-methylpropyl)butanamide

3-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]-N-(2-methylpropyl)butanamide (PubChem CID 3829481) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is 3-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]-N-(2-methylpropyl)butanamide.

Molecular Properties

Compound Name3-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]-N-(2-methylpropyl)butanamide
PubChem CID3829481
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name3-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]-N-(2-methylpropyl)butanamide
SMILESCOc1ccccc1OCC(=O)NN=C(C)CC(=O)NCC(C)C
InChIInChI=1S/C17H25N3O4/c1-12(2)10-18-16(21)9-13(3)19-20-17(22)11-24-15-8-6-5-7-14(15)23-4/h5-8,12H,9-11H2,1-4H3,(H,18,21)(H,20,22)
InChIKeyGEXOYNNMFZDXQQ-UHFFFAOYSA-N
XLogP1.73
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.73
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-(2-methoxyphenoxy)-N-(3-methylbutan-2-ylideneamino)acetamide
CID 4560808
2-[[2-(2-methoxyphenoxy)acetyl]amino]-N-(2-methylpropyl)acetamide
CID 49167933
2-(2-methoxyphenoxy)-N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]acetamide
CID 9315778
N-[4-(dimethylamino)phenyl]-3-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]butanamide
CID 3780148
N-(2-aminopropyl)-2-(2-methoxyphenoxy)acetamide
CID 82354186
2-(2-methoxyphenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102914369
N-(2-hydroxy-4-methylpentyl)-2-(2-methoxyphenoxy)acetamide
CID 103770844
N-(2-hydroxy-3-methylbutyl)-2-(2-methoxyphenoxy)acetamide
CID 115701647
2-(2-hydroxyphenoxy)-N-(2-methylpropyl)acetamide
CID 43087121
N-(3-amino-2-methylpropyl)-2-(2-methoxyphenoxy)acetamide
CID 115267431
N-(2-ethylbutyl)-2-(2-methoxyphenoxy)acetamide
CID 115612569
N-[1-(furan-2-yl)ethylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 922218

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]-N-(2-methylpropyl)butanamide?
The IUPAC name of 3-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]-N-(2-methylpropyl)butanamide (CID 3829481) is 3-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]-N-(2-methylpropyl)butanamide.
What is the SMILES notation for 3-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]-N-(2-methylpropyl)butanamide?
The canonical SMILES for 3-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]-N-(2-methylpropyl)butanamide is COc1ccccc1OCC(=O)NN=C(C)CC(=O)NCC(C)C.
What is the InChIKey of 3-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]-N-(2-methylpropyl)butanamide?
The InChIKey is GEXOYNNMFZDXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-12(2)10-18-16(21)9-13(3)19-20-17(22)11-24-15-8-6-5-7-14(15)23-4/h5-8,12H,9-11H2,1-4H3,(H,18,21)(H,20,22).
What are the key properties of 3-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]-N-(2-methylpropyl)butanamide?
3-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]-N-(2-methylpropyl)butanamide has a molecular weight of 335.40 g/mol, XLogP of 1.73, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]-N-(2-methylpropyl)butanamide is sourced from PubChem (CID 3829481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).