(3E)-3-[[2-(4-tert-butylphenoxy)acetyl]hydrazinylidene]-N-(3-methoxypropyl)butanamide

C20H31N3O4 — CID 6068548

IUPAC(3E)-3-[[2-(4-tert-butylphenoxy)acetyl]hydrazinylidene]-N-(3-methoxypropyl)butanamide
SMILESCOCCCNC(=O)C/C(C)=N/NC(=O)COc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H31N3O4/c1-15(13-18(24)21-11-6-12-26-5)22-23-19(25)14-27-17-9-7-16(8-10-17)20(2,3)4/h7-10H,6,11-14H2,1-5H3,(H,21,24)(H,23,25)/b22-15+
InChIKeyVOOGESHMZWIIBB-PXLXIMEGSA-N
MW377.49 g/mol
LogP2.40
Rot. Bonds10

About (3E)-3-[[2-(4-tert-butylphenoxy)acetyl]hydrazinylidene]-N-(3-methoxypropyl)butanamide

(3E)-3-[[2-(4-tert-butylphenoxy)acetyl]hydrazinylidene]-N-(3-methoxypropyl)butanamide (PubChem CID 6068548) has the molecular formula C20H31N3O4 and a molecular weight of 377.49 g/mol. Its IUPAC name is (3E)-3-[[2-(4-tert-butylphenoxy)acetyl]hydrazinylidene]-N-(3-methoxypropyl)butanamide.

Molecular Properties

Compound Name(3E)-3-[[2-(4-tert-butylphenoxy)acetyl]hydrazinylidene]-N-(3-methoxypropyl)butanamide
PubChem CID6068548
Molecular FormulaC20H31N3O4
Molecular Weight377.49 g/mol
Exact Mass377.23
IUPAC Name(3E)-3-[[2-(4-tert-butylphenoxy)acetyl]hydrazinylidene]-N-(3-methoxypropyl)butanamide
SMILESCOCCCNC(=O)C/C(C)=N/NC(=O)COc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H31N3O4/c1-15(13-18(24)21-11-6-12-26-5)22-23-19(25)14-27-17-9-7-16(8-10-17)20(2,3)4/h7-10H,6,11-14H2,1-5H3,(H,21,24)(H,23,25)/b22-15+
InChIKeyVOOGESHMZWIIBB-PXLXIMEGSA-N
XLogP2.40
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-tert-butylphenyl)phenoxy]-N-(3-methoxypropyl)acetamide
CID 110407721
2-(4-tert-butylphenoxy)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide
CID 135560522
4-tert-butyl-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide
CID 35513820
N-(3-methoxypropyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 112991225
2-(4-tert-butylphenoxy)-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 921053
2-(4-tert-butylphenoxy)-N-[(E)-(4-tert-butylphenyl)methylideneamino]acetamide
CID 19173269
4-tert-butyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]benzamide
CID 4062495
2-[4-(4-chlorobenzoyl)phenoxy]-N-(3-methoxypropyl)acetamide
CID 51141743
2-[4-[(1R)-1-hydroxypropyl]phenoxy]-N-(3-methoxypropyl)acetamide
CID 63365686
2-(4-tert-butylphenoxy)-N-(1-thiophen-2-ylethylideneamino)acetamide
CID 4564846
4-(2-amino-2-oxoethoxy)-N-(3-methoxypropyl)benzamide
CID 35513931
1-N',6-N'-bis[2-(4-tert-butylphenoxy)acetyl]hexanedihydrazide
CID 3322788

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[[2-(4-tert-butylphenoxy)acetyl]hydrazinylidene]-N-(3-methoxypropyl)butanamide?
The IUPAC name of (3E)-3-[[2-(4-tert-butylphenoxy)acetyl]hydrazinylidene]-N-(3-methoxypropyl)butanamide (CID 6068548) is (3E)-3-[[2-(4-tert-butylphenoxy)acetyl]hydrazinylidene]-N-(3-methoxypropyl)butanamide.
What is the SMILES notation for (3E)-3-[[2-(4-tert-butylphenoxy)acetyl]hydrazinylidene]-N-(3-methoxypropyl)butanamide?
The canonical SMILES for (3E)-3-[[2-(4-tert-butylphenoxy)acetyl]hydrazinylidene]-N-(3-methoxypropyl)butanamide is COCCCNC(=O)C/C(C)=N/NC(=O)COc1ccc(C(C)(C)C)cc1.
What is the InChIKey of (3E)-3-[[2-(4-tert-butylphenoxy)acetyl]hydrazinylidene]-N-(3-methoxypropyl)butanamide?
The InChIKey is VOOGESHMZWIIBB-PXLXIMEGSA-N. The full InChI is InChI=1S/C20H31N3O4/c1-15(13-18(24)21-11-6-12-26-5)22-23-19(25)14-27-17-9-7-16(8-10-17)20(2,3)4/h7-10H,6,11-14H2,1-5H3,(H,21,24)(H,23,25)/b22-15+.
What are the key properties of (3E)-3-[[2-(4-tert-butylphenoxy)acetyl]hydrazinylidene]-N-(3-methoxypropyl)butanamide?
(3E)-3-[[2-(4-tert-butylphenoxy)acetyl]hydrazinylidene]-N-(3-methoxypropyl)butanamide has a molecular weight of 377.49 g/mol, XLogP of 2.40, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[[2-(4-tert-butylphenoxy)acetyl]hydrazinylidene]-N-(3-methoxypropyl)butanamide is sourced from PubChem (CID 6068548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).