N'-[2-(4-methylphenoxy)acetyl]propanehydrazide

C12H16N2O3 — CID 4635692

IUPACN'-[2-(4-methylphenoxy)acetyl]propanehydrazide
SMILESCCC(=O)NNC(=O)COc1ccc(C)cc1
InChIInChI=1S/C12H16N2O3/c1-3-11(15)13-14-12(16)8-17-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyYWKWNWVJSZRMGL-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.93
Rot. Bonds4

About N'-[2-(4-methylphenoxy)acetyl]propanehydrazide

N'-[2-(4-methylphenoxy)acetyl]propanehydrazide (PubChem CID 4635692) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is N'-[2-(4-methylphenoxy)acetyl]propanehydrazide.

Molecular Properties

Compound NameN'-[2-(4-methylphenoxy)acetyl]propanehydrazide
PubChem CID4635692
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC NameN'-[2-(4-methylphenoxy)acetyl]propanehydrazide
SMILESCCC(=O)NNC(=O)COc1ccc(C)cc1
InChIInChI=1S/C12H16N2O3/c1-3-11(15)13-14-12(16)8-17-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyYWKWNWVJSZRMGL-UHFFFAOYSA-N
XLogP0.93
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-phenoxyacetyl)propanehydrazide
CID 4508940
N'-[2-(4-ethylphenoxy)acetyl]-2-(4-methylphenyl)acetohydrazide
CID 9324281
ethyl 4-[2-[2-[2-(4-methylphenoxy)acetyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 4932618
[[2-(4-methylphenoxy)acetyl]amino]thiourea
CID 11020991
N'-[2-(4-methylphenoxy)acetyl]-2-phenylacetohydrazide
CID 968398
N-tert-butyl-2-[2-[2-(4-methylphenoxy)acetyl]hydrazinyl]-2-oxoacetamide
CID 3108520
2-(4-methylphenoxy)-N'-[2-(4-methylphenoxy)acetyl]butanehydrazide
CID 4950205
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889
N-(1,3-dihydroxypropan-2-yl)-2-(4-methylphenoxy)acetamide
CID 65312489
2-methyl-N'-[2-[4-(4-methylphenoxy)phenoxy]acetyl]propanehydrazide
CID 24633512
N-(2-methylbutan-2-yl)-2-(4-methylphenoxy)acetamide
CID 50944675
2-[4-[2-(4-hydroxyanilino)-2-oxoethoxy]phenoxy]-N-(4-methylphenyl)acetamide
CID 71095079

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methylphenoxy)acetyl]propanehydrazide?
The IUPAC name of N'-[2-(4-methylphenoxy)acetyl]propanehydrazide (CID 4635692) is N'-[2-(4-methylphenoxy)acetyl]propanehydrazide.
What is the SMILES notation for N'-[2-(4-methylphenoxy)acetyl]propanehydrazide?
The canonical SMILES for N'-[2-(4-methylphenoxy)acetyl]propanehydrazide is CCC(=O)NNC(=O)COc1ccc(C)cc1.
What is the InChIKey of N'-[2-(4-methylphenoxy)acetyl]propanehydrazide?
The InChIKey is YWKWNWVJSZRMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-3-11(15)13-14-12(16)8-17-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of N'-[2-(4-methylphenoxy)acetyl]propanehydrazide?
N'-[2-(4-methylphenoxy)acetyl]propanehydrazide has a molecular weight of 236.27 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methylphenoxy)acetyl]propanehydrazide is sourced from PubChem (CID 4635692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).