2-[4-(oxan-4-ylmethoxy)phenyl]acetohydrazide

C14H20N2O3 — CID 164513641

IUPAC2-[4-(oxan-4-ylmethoxy)phenyl]acetohydrazide
SMILESNNC(=O)Cc1ccc(OCC2CCOCC2)cc1
InChIInChI=1S/C14H20N2O3/c15-16-14(17)9-11-1-3-13(4-2-11)19-10-12-5-7-18-8-6-12/h1-4,12H,5-10,15H2,(H,16,17)
InChIKeyJRRHHFLCRYNGNR-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.02
Rot. Bonds5

About 2-[4-(oxan-4-ylmethoxy)phenyl]acetohydrazide

2-[4-(oxan-4-ylmethoxy)phenyl]acetohydrazide (PubChem CID 164513641) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[4-(oxan-4-ylmethoxy)phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[4-(oxan-4-ylmethoxy)phenyl]acetohydrazide
PubChem CID164513641
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[4-(oxan-4-ylmethoxy)phenyl]acetohydrazide
SMILESNNC(=O)Cc1ccc(OCC2CCOCC2)cc1
InChIInChI=1S/C14H20N2O3/c15-16-14(17)9-11-1-3-13(4-2-11)19-10-12-5-7-18-8-6-12/h1-4,12H,5-10,15H2,(H,16,17)
InChIKeyJRRHHFLCRYNGNR-UHFFFAOYSA-N
XLogP1.02
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 ≤ 51.02
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

1-[4-(oxolan-3-ylmethoxy)phenyl]propan-2-one
CID 115495368
2-(methylamino)-N-[4-(oxan-4-ylmethoxy)phenyl]acetamide
CID 119793689
1-amino-N-[4-(oxan-4-ylmethoxy)phenyl]cyclohexane-1-carboxamide
CID 119329322
1-(2-cyclopropylethyl)-3-[4-(oxan-4-ylmethoxy)phenyl]urea
CID 71992090
4-amino-N-[4-(oxan-4-ylmethoxy)phenyl]pentanamide
CID 120562992
2-amino-2-(oxan-4-yl)-N-[4-(oxan-4-ylmethoxy)phenyl]acetamide;hydrochloride
CID 120794059
(E)-3-[4-(oxan-4-ylmethoxy)phenyl]prop-2-enoic acid
CID 62386800
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(oxan-4-ylmethoxy)phenyl]acetamide
CID 119793699
1-[2-amino-5-(oxan-4-ylmethoxy)phenyl]ethanone
CID 104613309
N-[4-(oxan-4-ylmethoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119329303
2-(4-fluorophenyl)-N-(oxan-4-ylmethyl)acetamide
CID 110736373
N-(oxan-4-yl)-2-[4-(2-oxopropyl)phenoxy]acetamide
CID 115495370

Frequently Asked Questions

What is the IUPAC name of 2-[4-(oxan-4-ylmethoxy)phenyl]acetohydrazide?
The IUPAC name of 2-[4-(oxan-4-ylmethoxy)phenyl]acetohydrazide (CID 164513641) is 2-[4-(oxan-4-ylmethoxy)phenyl]acetohydrazide.
What is the SMILES notation for 2-[4-(oxan-4-ylmethoxy)phenyl]acetohydrazide?
The canonical SMILES for 2-[4-(oxan-4-ylmethoxy)phenyl]acetohydrazide is NNC(=O)Cc1ccc(OCC2CCOCC2)cc1.
What is the InChIKey of 2-[4-(oxan-4-ylmethoxy)phenyl]acetohydrazide?
The InChIKey is JRRHHFLCRYNGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c15-16-14(17)9-11-1-3-13(4-2-11)19-10-12-5-7-18-8-6-12/h1-4,12H,5-10,15H2,(H,16,17).
What are the key properties of 2-[4-(oxan-4-ylmethoxy)phenyl]acetohydrazide?
2-[4-(oxan-4-ylmethoxy)phenyl]acetohydrazide has a molecular weight of 264.32 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(oxan-4-ylmethoxy)phenyl]acetohydrazide is sourced from PubChem (CID 164513641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).