3-[4-(4-methylphenyl)phenoxy]propanehydrazide

C16H18N2O2 — CID 63568541

IUPAC3-[4-(4-methylphenyl)phenoxy]propanehydrazide
SMILESCc1ccc(-c2ccc(OCCC(=O)NN)cc2)cc1
InChIInChI=1S/C16H18N2O2/c1-12-2-4-13(5-3-12)14-6-8-15(9-7-14)20-11-10-16(19)18-17/h2-9H,10-11,17H2,1H3,(H,18,19)
InChIKeyWWPYEMUGPYXCAV-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.42
Rot. Bonds5

About 3-[4-(4-methylphenyl)phenoxy]propanehydrazide

3-[4-(4-methylphenyl)phenoxy]propanehydrazide (PubChem CID 63568541) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-[4-(4-methylphenyl)phenoxy]propanehydrazide.

Molecular Properties

Compound Name3-[4-(4-methylphenyl)phenoxy]propanehydrazide
PubChem CID63568541
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name3-[4-(4-methylphenyl)phenoxy]propanehydrazide
SMILESCc1ccc(-c2ccc(OCCC(=O)NN)cc2)cc1
InChIInChI=1S/C16H18N2O2/c1-12-2-4-13(5-3-12)14-6-8-15(9-7-14)20-11-10-16(19)18-17/h2-9H,10-11,17H2,1H3,(H,18,19)
InChIKeyWWPYEMUGPYXCAV-UHFFFAOYSA-N
XLogP2.42
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(4-propoxyphenoxy)propanehydrazide
CID 63576064
N-methoxy-3-(4-methylphenoxy)propanamide
CID 60716976
3-(3,5-dimethylphenoxy)propanehydrazide
CID 43244782
4-(3-hydrazinyl-3-oxopropoxy)benzoic acid
CID 23136072
N-(2-amino-2-oxoethyl)-3-(4-methylphenoxy)propanamide
CID 9295558
3-(4-methylphenoxy)-N-(4-phenylphenyl)propanamide
CID 18276176
3-(4-methylphenoxy)-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 9163163
4-[4-(4-methylphenyl)phenoxy]butanoic acid
CID 22680200
2-[[2-[3-(4-methylphenoxy)propanoylamino]acetyl]amino]acetic acid
CID 43387562
[2-oxo-2-(propylcarbamoylamino)ethyl] 3-(4-methylphenoxy)propanoate
CID 9139525
N-(2-ethylbutyl)-3-(4-methylphenoxy)propanamide
CID 115612574
3-(4-fluorophenoxy)-N-(4-methylphenyl)propanamide
CID 31855578

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methylphenyl)phenoxy]propanehydrazide?
The IUPAC name of 3-[4-(4-methylphenyl)phenoxy]propanehydrazide (CID 63568541) is 3-[4-(4-methylphenyl)phenoxy]propanehydrazide.
What is the SMILES notation for 3-[4-(4-methylphenyl)phenoxy]propanehydrazide?
The canonical SMILES for 3-[4-(4-methylphenyl)phenoxy]propanehydrazide is Cc1ccc(-c2ccc(OCCC(=O)NN)cc2)cc1.
What is the InChIKey of 3-[4-(4-methylphenyl)phenoxy]propanehydrazide?
The InChIKey is WWPYEMUGPYXCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-12-2-4-13(5-3-12)14-6-8-15(9-7-14)20-11-10-16(19)18-17/h2-9H,10-11,17H2,1H3,(H,18,19).
What are the key properties of 3-[4-(4-methylphenyl)phenoxy]propanehydrazide?
3-[4-(4-methylphenyl)phenoxy]propanehydrazide has a molecular weight of 270.33 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methylphenyl)phenoxy]propanehydrazide is sourced from PubChem (CID 63568541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).