2-[4-(3-methylbutan-2-yloxymethyl)phenyl]propanehydrazide

C15H24N2O2 — CID 105351558

IUPAC2-[4-(3-methylbutan-2-yloxymethyl)phenyl]propanehydrazide
SMILESCC(C(=O)NN)c1ccc(COC(C)C(C)C)cc1
InChIInChI=1S/C15H24N2O2/c1-10(2)12(4)19-9-13-5-7-14(8-6-13)11(3)15(18)17-16/h5-8,10-12H,9,16H2,1-4H3,(H,17,18)
InChIKeySORLKNQWPBULMD-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.34
Rot. Bonds6

About 2-[4-(3-methylbutan-2-yloxymethyl)phenyl]propanehydrazide

2-[4-(3-methylbutan-2-yloxymethyl)phenyl]propanehydrazide (PubChem CID 105351558) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[4-(3-methylbutan-2-yloxymethyl)phenyl]propanehydrazide.

Molecular Properties

Compound Name2-[4-(3-methylbutan-2-yloxymethyl)phenyl]propanehydrazide
PubChem CID105351558
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-[4-(3-methylbutan-2-yloxymethyl)phenyl]propanehydrazide
SMILESCC(C(=O)NN)c1ccc(COC(C)C(C)C)cc1
InChIInChI=1S/C15H24N2O2/c1-10(2)12(4)19-9-13-5-7-14(8-6-13)11(3)15(18)17-16/h5-8,10-12H,9,16H2,1-4H3,(H,17,18)
InChIKeySORLKNQWPBULMD-UHFFFAOYSA-N
XLogP2.34
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.34
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'}

Analyze 2-[4-(3-methylbutan-2-yloxymethyl)phenyl]propanehydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(methoxymethyl)phenyl]propanehydrazide
CID 105351367
2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 2736674
2-[4-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]propanehydrazide
CID 105351499
2-[4-(3,3,3-trifluoropropoxymethyl)phenyl]propanehydrazide
CID 105351573
2-[4-(oxan-4-yloxymethyl)phenyl]propanehydrazide
CID 105351515
2-[4-(ethylsulfanylmethyl)phenyl]propanehydrazide
CID 105352360
2-[4-(2-cyclobutylethoxymethyl)phenyl]propanehydrazide
CID 106206559
2-[4-(oxan-4-ylmethoxymethyl)phenyl]propanehydrazide
CID 105351507
2-[4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]propanehydrazide
CID 105351961
2-[4-(pentylsulfanylmethyl)phenyl]propanehydrazide
CID 107760947
2-[4-[[methyl(3-methylbutyl)amino]methyl]phenyl]propanehydrazide
CID 105351918
2-[4-[(3-hydroxyphenyl)sulfanylmethyl]phenyl]propanehydrazide
CID 105352546

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methylbutan-2-yloxymethyl)phenyl]propanehydrazide?
The IUPAC name of 2-[4-(3-methylbutan-2-yloxymethyl)phenyl]propanehydrazide (CID 105351558) is 2-[4-(3-methylbutan-2-yloxymethyl)phenyl]propanehydrazide.
What is the SMILES notation for 2-[4-(3-methylbutan-2-yloxymethyl)phenyl]propanehydrazide?
The canonical SMILES for 2-[4-(3-methylbutan-2-yloxymethyl)phenyl]propanehydrazide is CC(C(=O)NN)c1ccc(COC(C)C(C)C)cc1.
What is the InChIKey of 2-[4-(3-methylbutan-2-yloxymethyl)phenyl]propanehydrazide?
The InChIKey is SORLKNQWPBULMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10(2)12(4)19-9-13-5-7-14(8-6-13)11(3)15(18)17-16/h5-8,10-12H,9,16H2,1-4H3,(H,17,18).
What are the key properties of 2-[4-(3-methylbutan-2-yloxymethyl)phenyl]propanehydrazide?
2-[4-(3-methylbutan-2-yloxymethyl)phenyl]propanehydrazide has a molecular weight of 264.37 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methylbutan-2-yloxymethyl)phenyl]propanehydrazide is sourced from PubChem (CID 105351558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).