2-[4-(oxan-4-ylmethoxymethyl)phenyl]propanehydrazide

C16H24N2O3 — CID 105351507

IUPAC2-[4-(oxan-4-ylmethoxymethyl)phenyl]propanehydrazide
SMILESCC(C(=O)NN)c1ccc(COCC2CCOCC2)cc1
InChIInChI=1S/C16H24N2O3/c1-12(16(19)18-17)15-4-2-13(3-5-15)10-21-11-14-6-8-20-9-7-14/h2-5,12,14H,6-11,17H2,1H3,(H,18,19)
InChIKeyRWZFIJPROMCAGK-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.72
Rot. Bonds6

About 2-[4-(oxan-4-ylmethoxymethyl)phenyl]propanehydrazide

2-[4-(oxan-4-ylmethoxymethyl)phenyl]propanehydrazide (PubChem CID 105351507) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[4-(oxan-4-ylmethoxymethyl)phenyl]propanehydrazide.

Molecular Properties

Compound Name2-[4-(oxan-4-ylmethoxymethyl)phenyl]propanehydrazide
PubChem CID105351507
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[4-(oxan-4-ylmethoxymethyl)phenyl]propanehydrazide
SMILESCC(C(=O)NN)c1ccc(COCC2CCOCC2)cc1
InChIInChI=1S/C16H24N2O3/c1-12(16(19)18-17)15-4-2-13(3-5-15)10-21-11-14-6-8-20-9-7-14/h2-5,12,14H,6-11,17H2,1H3,(H,18,19)
InChIKeyRWZFIJPROMCAGK-UHFFFAOYSA-N
XLogP1.72
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[4-(oxan-4-yloxymethyl)phenyl]propanehydrazide
CID 105351515
2-[4-(2-cyclobutylethoxymethyl)phenyl]propanehydrazide
CID 106206559
2-[4-(methoxymethyl)phenyl]propanehydrazide
CID 105351367
2-[4-(cyclopentylmethoxymethyl)phenyl]propanoic acid
CID 105344994
2-[4-(3,3,3-trifluoropropoxymethyl)phenyl]propanehydrazide
CID 105351573
2-[4-(3-methylbutan-2-yloxymethyl)phenyl]propanehydrazide
CID 105351558
2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 2736674
[5-(oxan-4-ylmethoxymethyl)-2-pyridinyl]hydrazine
CID 62385083
2-[4-[[cyclopropyl(ethyl)amino]methyl]phenyl]propanehydrazide
CID 105351675
1-[4-(2-methylpropyl)phenyl]-2-(oxan-4-ylmethoxy)ethanol
CID 62383936
2-[4-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenyl]propanehydrazide
CID 105351851
2-[4-(oxan-4-ylmethoxy)phenyl]acetohydrazide
CID 164513641

Frequently Asked Questions

What is the IUPAC name of 2-[4-(oxan-4-ylmethoxymethyl)phenyl]propanehydrazide?
The IUPAC name of 2-[4-(oxan-4-ylmethoxymethyl)phenyl]propanehydrazide (CID 105351507) is 2-[4-(oxan-4-ylmethoxymethyl)phenyl]propanehydrazide.
What is the SMILES notation for 2-[4-(oxan-4-ylmethoxymethyl)phenyl]propanehydrazide?
The canonical SMILES for 2-[4-(oxan-4-ylmethoxymethyl)phenyl]propanehydrazide is CC(C(=O)NN)c1ccc(COCC2CCOCC2)cc1.
What is the InChIKey of 2-[4-(oxan-4-ylmethoxymethyl)phenyl]propanehydrazide?
The InChIKey is RWZFIJPROMCAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12(16(19)18-17)15-4-2-13(3-5-15)10-21-11-14-6-8-20-9-7-14/h2-5,12,14H,6-11,17H2,1H3,(H,18,19).
What are the key properties of 2-[4-(oxan-4-ylmethoxymethyl)phenyl]propanehydrazide?
2-[4-(oxan-4-ylmethoxymethyl)phenyl]propanehydrazide has a molecular weight of 292.38 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(oxan-4-ylmethoxymethyl)phenyl]propanehydrazide is sourced from PubChem (CID 105351507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).