3-(3,5-dimethylphenoxy)propanehydrazide

C11H16N2O2 — CID 43244782

IUPAC3-(3,5-dimethylphenoxy)propanehydrazide
SMILESCc1cc(C)cc(OCCC(=O)NN)c1
InChIInChI=1S/C11H16N2O2/c1-8-5-9(2)7-10(6-8)15-4-3-11(14)13-12/h5-7H,3-4,12H2,1-2H3,(H,13,14)
InChIKeyQEHYCGGWIQPLIP-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.06
Rot. Bonds4

About 3-(3,5-dimethylphenoxy)propanehydrazide

3-(3,5-dimethylphenoxy)propanehydrazide (PubChem CID 43244782) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-(3,5-dimethylphenoxy)propanehydrazide.

Molecular Properties

Compound Name3-(3,5-dimethylphenoxy)propanehydrazide
PubChem CID43244782
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-(3,5-dimethylphenoxy)propanehydrazide
SMILESCc1cc(C)cc(OCCC(=O)NN)c1
InChIInChI=1S/C11H16N2O2/c1-8-5-9(2)7-10(6-8)15-4-3-11(14)13-12/h5-7H,3-4,12H2,1-2H3,(H,13,14)
InChIKeyQEHYCGGWIQPLIP-UHFFFAOYSA-N
XLogP1.06
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.06
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

N-tert-butyl-3-(3,5-dimethylphenoxy)propanamide
CID 60731427
3-[4-(4-methylphenyl)phenoxy]propanehydrazide
CID 63568541
N-(1-amino-2-methylpropan-2-yl)-3-(3,5-dimethylphenoxy)propanamide
CID 110834140
methyl (2S)-2-[3-(3,5-dimethylphenoxy)propanoylamino]propanoate
CID 87040329
3-(2,3,5-trimethylphenoxy)propanehydrazide
CID 63575558
ethyl 2-[3-(3,5-dimethylphenoxy)propanoylamino]propanoate
CID 61344778
3-(3,5-dimethylphenoxy)-N-(2-hydroxypropyl)propanamide
CID 43418206
3-(4-propoxyphenoxy)propanehydrazide
CID 63576064
3-(3,5-dimethylphenoxy)-N-[2-(ethylamino)ethyl]propanamide
CID 119507967
N-[2-(4-aminophenyl)ethyl]-3-(3,5-dimethylphenoxy)propanamide
CID 119548986
3-(3,5-dimethylphenoxy)-N-[4-[(2-methoxyacetyl)amino]phenyl]propanamide
CID 46584839
N-(2,3-dihydroxy-2-methylpropyl)-3-(3,5-dimethylphenoxy)propanamide
CID 66170491

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenoxy)propanehydrazide?
The IUPAC name of 3-(3,5-dimethylphenoxy)propanehydrazide (CID 43244782) is 3-(3,5-dimethylphenoxy)propanehydrazide.
What is the SMILES notation for 3-(3,5-dimethylphenoxy)propanehydrazide?
The canonical SMILES for 3-(3,5-dimethylphenoxy)propanehydrazide is Cc1cc(C)cc(OCCC(=O)NN)c1.
What is the InChIKey of 3-(3,5-dimethylphenoxy)propanehydrazide?
The InChIKey is QEHYCGGWIQPLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8-5-9(2)7-10(6-8)15-4-3-11(14)13-12/h5-7H,3-4,12H2,1-2H3,(H,13,14).
What are the key properties of 3-(3,5-dimethylphenoxy)propanehydrazide?
3-(3,5-dimethylphenoxy)propanehydrazide has a molecular weight of 208.26 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenoxy)propanehydrazide is sourced from PubChem (CID 43244782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).