3-(2,3,5-trimethylphenoxy)propanehydrazide

C12H18N2O2 — CID 63575558

IUPAC3-(2,3,5-trimethylphenoxy)propanehydrazide
SMILESCc1cc(C)c(C)c(OCCC(=O)NN)c1
InChIInChI=1S/C12H18N2O2/c1-8-6-9(2)10(3)11(7-8)16-5-4-12(15)14-13/h6-7H,4-5,13H2,1-3H3,(H,14,15)
InChIKeyGTEWBZFTEJHHKG-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.37
Rot. Bonds4

About 3-(2,3,5-trimethylphenoxy)propanehydrazide

3-(2,3,5-trimethylphenoxy)propanehydrazide (PubChem CID 63575558) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-(2,3,5-trimethylphenoxy)propanehydrazide.

Molecular Properties

Compound Name3-(2,3,5-trimethylphenoxy)propanehydrazide
PubChem CID63575558
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-(2,3,5-trimethylphenoxy)propanehydrazide
SMILESCc1cc(C)c(C)c(OCCC(=O)NN)c1
InChIInChI=1S/C12H18N2O2/c1-8-6-9(2)10(3)11(7-8)16-5-4-12(15)14-13/h6-7H,4-5,13H2,1-3H3,(H,14,15)
InChIKeyGTEWBZFTEJHHKG-UHFFFAOYSA-N
XLogP1.37
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.37
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-(1-amino-2-methylpropan-2-yl)-3-(2,3,5-trimethylphenoxy)propanamide
CID 119522177
N-(3-aminopropyl)-3-(2,3,5-trimethylphenoxy)propanamide
CID 119405735
3-(3,5-dimethylphenoxy)propanehydrazide
CID 43244782
N-[(1-hydroxycyclobutyl)methyl]-3-(2,3,5-trimethylphenoxy)propanamide
CID 111539630
2-[2-[3-(2,3,5-trimethylphenoxy)propanoylamino]phenyl]acetic acid
CID 119218425
3-(4-chloro-2-methylphenoxy)propanehydrazide
CID 63574293
4-[[3-(2,3,5-trimethylphenoxy)propanoylamino]methyl]oxane-4-carboxamide
CID 56783010
4-(2,3-dimethylphenoxy)butanehydrazide
CID 63574436
N-(2-methylpiperidin-4-yl)-3-(2,3,5-trimethylphenoxy)propanamide
CID 120597993
2-(methylamino)-4-(2,3,5-trimethylphenoxy)butanamide
CID 55143007
N-(2-methylpiperidin-3-yl)-3-(2,3,5-trimethylphenoxy)propanamide
CID 120573443
N-(2-aminoethyl)-2-[3-(2,3,5-trimethylphenoxy)propanoylamino]benzamide;hydrochloride
CID 120603313

Frequently Asked Questions

What is the IUPAC name of 3-(2,3,5-trimethylphenoxy)propanehydrazide?
The IUPAC name of 3-(2,3,5-trimethylphenoxy)propanehydrazide (CID 63575558) is 3-(2,3,5-trimethylphenoxy)propanehydrazide.
What is the SMILES notation for 3-(2,3,5-trimethylphenoxy)propanehydrazide?
The canonical SMILES for 3-(2,3,5-trimethylphenoxy)propanehydrazide is Cc1cc(C)c(C)c(OCCC(=O)NN)c1.
What is the InChIKey of 3-(2,3,5-trimethylphenoxy)propanehydrazide?
The InChIKey is GTEWBZFTEJHHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8-6-9(2)10(3)11(7-8)16-5-4-12(15)14-13/h6-7H,4-5,13H2,1-3H3,(H,14,15).
What are the key properties of 3-(2,3,5-trimethylphenoxy)propanehydrazide?
3-(2,3,5-trimethylphenoxy)propanehydrazide has a molecular weight of 222.29 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,5-trimethylphenoxy)propanehydrazide is sourced from PubChem (CID 63575558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).