3-(oxan-2-ylmethoxymethyl)benzohydrazide

C14H20N2O3 — CID 55212613

IUPAC3-(oxan-2-ylmethoxymethyl)benzohydrazide
SMILESNNC(=O)c1cccc(COCC2CCCCO2)c1
InChIInChI=1S/C14H20N2O3/c15-16-14(17)12-5-3-4-11(8-12)9-18-10-13-6-1-2-7-19-13/h3-5,8,13H,1-2,6-7,9-10,15H2,(H,16,17)
InChIKeyZRACYHARLFDFII-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.38
Rot. Bonds5

About 3-(oxan-2-ylmethoxymethyl)benzohydrazide

3-(oxan-2-ylmethoxymethyl)benzohydrazide (PubChem CID 55212613) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-(oxan-2-ylmethoxymethyl)benzohydrazide.

Molecular Properties

Compound Name3-(oxan-2-ylmethoxymethyl)benzohydrazide
PubChem CID55212613
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-(oxan-2-ylmethoxymethyl)benzohydrazide
SMILESNNC(=O)c1cccc(COCC2CCCCO2)c1
InChIInChI=1S/C14H20N2O3/c15-16-14(17)12-5-3-4-11(8-12)9-18-10-13-6-1-2-7-19-13/h3-5,8,13H,1-2,6-7,9-10,15H2,(H,16,17)
InChIKeyZRACYHARLFDFII-UHFFFAOYSA-N
XLogP1.38
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.38
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

N-methyl-N'-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]oxamide
CID 96562652
(2S)-N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]oxolane-2-carboxamide
CID 94111035
N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]-1,2-oxazole-3-carboxamide
CID 97011567
N-[3-(oxan-2-ylmethoxymethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 71935210
1-[3-(oxan-2-ylmethoxymethyl)phenyl]-3-(thiophen-3-ylmethyl)urea
CID 102556165
3-(cyclobutyloxymethyl)benzohydrazide
CID 63570894
2-[(3-fluorophenyl)methoxymethyl]oxolane
CID 91656930
4-acetyl-N-[3-(oxan-2-ylmethoxymethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 47066120
2,4-difluoro-6-hydroxy-N-[3-(oxan-2-ylmethoxymethyl)phenyl]benzamide
CID 71883387
[4-(oxan-2-ylmethoxymethyl)-2-pyridinyl]hydrazine
CID 62463960
4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[3-(oxan-2-ylmethoxymethyl)phenyl]benzamide
CID 55807172
2,6-dimethyl-N-[3-(oxan-2-ylmethoxymethyl)phenyl]morpholine-4-carboxamide
CID 51118883

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-2-ylmethoxymethyl)benzohydrazide?
The IUPAC name of 3-(oxan-2-ylmethoxymethyl)benzohydrazide (CID 55212613) is 3-(oxan-2-ylmethoxymethyl)benzohydrazide.
What is the SMILES notation for 3-(oxan-2-ylmethoxymethyl)benzohydrazide?
The canonical SMILES for 3-(oxan-2-ylmethoxymethyl)benzohydrazide is NNC(=O)c1cccc(COCC2CCCCO2)c1.
What is the InChIKey of 3-(oxan-2-ylmethoxymethyl)benzohydrazide?
The InChIKey is ZRACYHARLFDFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c15-16-14(17)12-5-3-4-11(8-12)9-18-10-13-6-1-2-7-19-13/h3-5,8,13H,1-2,6-7,9-10,15H2,(H,16,17).
What are the key properties of 3-(oxan-2-ylmethoxymethyl)benzohydrazide?
3-(oxan-2-ylmethoxymethyl)benzohydrazide has a molecular weight of 264.32 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-2-ylmethoxymethyl)benzohydrazide is sourced from PubChem (CID 55212613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).