2-[4-(4-methylphenyl)phenoxy]propanehydrazide

C16H18N2O2 — CID 63568542

IUPAC2-[4-(4-methylphenyl)phenoxy]propanehydrazide
SMILESCc1ccc(-c2ccc(OC(C)C(=O)NN)cc2)cc1
InChIInChI=1S/C16H18N2O2/c1-11-3-5-13(6-4-11)14-7-9-15(10-8-14)20-12(2)16(19)18-17/h3-10,12H,17H2,1-2H3,(H,18,19)
InChIKeyJBNPWTGTCCNZFD-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.42
Rot. Bonds4

About 2-[4-(4-methylphenyl)phenoxy]propanehydrazide

2-[4-(4-methylphenyl)phenoxy]propanehydrazide (PubChem CID 63568542) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[4-(4-methylphenyl)phenoxy]propanehydrazide.

Molecular Properties

Compound Name2-[4-(4-methylphenyl)phenoxy]propanehydrazide
PubChem CID63568542
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-[4-(4-methylphenyl)phenoxy]propanehydrazide
SMILESCc1ccc(-c2ccc(OC(C)C(=O)NN)cc2)cc1
InChIInChI=1S/C16H18N2O2/c1-11-3-5-13(6-4-11)14-7-9-15(10-8-14)20-12(2)16(19)18-17/h3-10,12H,17H2,1-2H3,(H,18,19)
InChIKeyJBNPWTGTCCNZFD-UHFFFAOYSA-N
XLogP2.42
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

2-(3,5-dimethylphenoxy)propanehydrazide
CID 2758585
2-[4-(4-methylphenyl)phenoxy]propanoic acid
CID 16769111
2-(3-methylphenoxy)propanehydrazide
CID 3021693
(2R)-N-[(2S)-3-methylbutan-2-yl]-2-(4-methylphenoxy)propanamide
CID 94665564
2-(4-methylphenoxy)-N-(2-methylpropyl)propanamide
CID 53282928
(2R)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]phenyl]propanamide
CID 1019889
2-(4-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 4221032
N-(1-hydroxypropan-2-yl)-2-(4-methylphenoxy)propanamide
CID 43419032
N-(3,5-dimethylphenyl)-2-(4-methylphenoxy)propanamide
CID 4928504
N-butan-2-yl-2-(4-methylphenoxy)propanamide
CID 42909893
4-[2-(4-methylphenoxy)propanoylamino]butanamide
CID 56812745
N-(3-aminopropyl)-2-(4-methylphenoxy)propanamide;hydrochloride
CID 119407044

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylphenyl)phenoxy]propanehydrazide?
The IUPAC name of 2-[4-(4-methylphenyl)phenoxy]propanehydrazide (CID 63568542) is 2-[4-(4-methylphenyl)phenoxy]propanehydrazide.
What is the SMILES notation for 2-[4-(4-methylphenyl)phenoxy]propanehydrazide?
The canonical SMILES for 2-[4-(4-methylphenyl)phenoxy]propanehydrazide is Cc1ccc(-c2ccc(OC(C)C(=O)NN)cc2)cc1.
What is the InChIKey of 2-[4-(4-methylphenyl)phenoxy]propanehydrazide?
The InChIKey is JBNPWTGTCCNZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11-3-5-13(6-4-11)14-7-9-15(10-8-14)20-12(2)16(19)18-17/h3-10,12H,17H2,1-2H3,(H,18,19).
What are the key properties of 2-[4-(4-methylphenyl)phenoxy]propanehydrazide?
2-[4-(4-methylphenyl)phenoxy]propanehydrazide has a molecular weight of 270.33 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylphenyl)phenoxy]propanehydrazide is sourced from PubChem (CID 63568542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).