2-(3,5-dimethylphenoxy)propanehydrazide

C11H16N2O2 — CID 2758585

IUPAC2-(3,5-dimethylphenoxy)propanehydrazide
SMILESCc1cc(C)cc(OC(C)C(=O)NN)c1
InChIInChI=1S/C11H16N2O2/c1-7-4-8(2)6-10(5-7)15-9(3)11(14)13-12/h4-6,9H,12H2,1-3H3,(H,13,14)
InChIKeyBFDPGHYRXROEHO-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.06
Rot. Bonds3

About 2-(3,5-dimethylphenoxy)propanehydrazide

2-(3,5-dimethylphenoxy)propanehydrazide (PubChem CID 2758585) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)propanehydrazide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)propanehydrazide
PubChem CID2758585
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-(3,5-dimethylphenoxy)propanehydrazide
SMILESCc1cc(C)cc(OC(C)C(=O)NN)c1
InChIInChI=1S/C11H16N2O2/c1-7-4-8(2)6-10(5-7)15-9(3)11(14)13-12/h4-6,9H,12H2,1-3H3,(H,13,14)
InChIKeyBFDPGHYRXROEHO-UHFFFAOYSA-N
XLogP1.06
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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

2-(3-methylphenoxy)propanehydrazide
CID 3021693
2-[4-(4-methylphenyl)phenoxy]propanehydrazide
CID 63568542
(2R)-2-(3,5-dimethylphenoxy)-N-[(2S)-3-methylbutan-2-yl]propanamide
CID 100569884
2-(3,5-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 53266252
(2S)-2-(3,5-dimethylphenoxy)-N-(2-methylpropyl)propanamide
CID 9181944
1-[[(2R)-2-(3,5-dimethylphenoxy)propanoyl]amino]-3-methylthiourea
CID 40724448
2-(3,5-dimethylphenoxy)-2-phenylacetohydrazide
CID 63576169
(2S)-2-(3,5-dimethylphenoxy)-N-prop-2-enylpropanamide
CID 40742748
2-(3-chlorophenoxy)propanehydrazide
CID 2832641
(2S)-2-(3,5-dimethylphenoxy)-N-(2,4-dimethylphenyl)propanamide
CID 889131
(2R)-2-(3,5-dimethylphenoxy)-N-(4-fluorophenyl)propanamide
CID 9173132
(2R)-N-(3-acetamidophenyl)-2-(3,5-dimethylphenoxy)propanamide
CID 29464050

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)propanehydrazide?
The IUPAC name of 2-(3,5-dimethylphenoxy)propanehydrazide (CID 2758585) is 2-(3,5-dimethylphenoxy)propanehydrazide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)propanehydrazide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)propanehydrazide is Cc1cc(C)cc(OC(C)C(=O)NN)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)propanehydrazide?
The InChIKey is BFDPGHYRXROEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-7-4-8(2)6-10(5-7)15-9(3)11(14)13-12/h4-6,9H,12H2,1-3H3,(H,13,14).
What are the key properties of 2-(3,5-dimethylphenoxy)propanehydrazide?
2-(3,5-dimethylphenoxy)propanehydrazide has a molecular weight of 208.26 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)propanehydrazide is sourced from PubChem (CID 2758585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).