3-[2-(oxetan-3-yloxy)ethoxy]benzohydrazide

C12H16N2O4 — CID 102608462

IUPAC3-[2-(oxetan-3-yloxy)ethoxy]benzohydrazide
SMILESNNC(=O)c1cccc(OCCOC2COC2)c1
InChIInChI=1S/C12H16N2O4/c13-14-12(15)9-2-1-3-10(6-9)17-4-5-18-11-7-16-8-11/h1-3,6,11H,4-5,7-8,13H2,(H,14,15)
InChIKeyXZEHRAIOWYHYSG-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.08
Rot. Bonds6

About 3-[2-(oxetan-3-yloxy)ethoxy]benzohydrazide

3-[2-(oxetan-3-yloxy)ethoxy]benzohydrazide (PubChem CID 102608462) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-[2-(oxetan-3-yloxy)ethoxy]benzohydrazide.

Molecular Properties

Compound Name3-[2-(oxetan-3-yloxy)ethoxy]benzohydrazide
PubChem CID102608462
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name3-[2-(oxetan-3-yloxy)ethoxy]benzohydrazide
SMILESNNC(=O)c1cccc(OCCOC2COC2)c1
InChIInChI=1S/C12H16N2O4/c13-14-12(15)9-2-1-3-10(6-9)17-4-5-18-11-7-16-8-11/h1-3,6,11H,4-5,7-8,13H2,(H,14,15)
InChIKeyXZEHRAIOWYHYSG-UHFFFAOYSA-N
XLogP0.08
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(oxetan-3-yloxymethyl)benzohydrazide
CID 102608436
3-[2-(oxolan-3-yloxy)ethoxy]benzoic acid
CID 63557403
3-heptoxybenzohydrazide
CID 54793165
3-[2-(4-methylphenoxy)ethoxy]benzohydrazide
CID 63575513
3-hexoxybenzohydrazide
CID 54793158
3-pentoxybenzohydrazide
CID 54793157
3-[2-[methyl(oxan-4-yl)amino]ethoxy]benzohydrazide
CID 63573326
3-(2-hydrazinyl-2-oxoethoxy)benzohydrazide
CID 6420585
3-[2-(furan-2-ylmethoxy)ethoxy]benzohydrazide
CID 63587007
3-[2-(3-oxomorpholin-4-yl)ethoxy]benzohydrazide
CID 79468409
3-[2-[bis(2-hydroxyethyl)amino]ethoxy]benzohydrazide
CID 63573041
N-cyclopentyloxy-3-(2-methoxyethoxy)benzamide
CID 75442730

Frequently Asked Questions

What is the IUPAC name of 3-[2-(oxetan-3-yloxy)ethoxy]benzohydrazide?
The IUPAC name of 3-[2-(oxetan-3-yloxy)ethoxy]benzohydrazide (CID 102608462) is 3-[2-(oxetan-3-yloxy)ethoxy]benzohydrazide.
What is the SMILES notation for 3-[2-(oxetan-3-yloxy)ethoxy]benzohydrazide?
The canonical SMILES for 3-[2-(oxetan-3-yloxy)ethoxy]benzohydrazide is NNC(=O)c1cccc(OCCOC2COC2)c1.
What is the InChIKey of 3-[2-(oxetan-3-yloxy)ethoxy]benzohydrazide?
The InChIKey is XZEHRAIOWYHYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c13-14-12(15)9-2-1-3-10(6-9)17-4-5-18-11-7-16-8-11/h1-3,6,11H,4-5,7-8,13H2,(H,14,15).
What are the key properties of 3-[2-(oxetan-3-yloxy)ethoxy]benzohydrazide?
3-[2-(oxetan-3-yloxy)ethoxy]benzohydrazide has a molecular weight of 252.27 g/mol, XLogP of 0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(oxetan-3-yloxy)ethoxy]benzohydrazide is sourced from PubChem (CID 102608462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).