2-(2-phenoxyethoxymethyl)benzohydrazide

C16H18N2O3 — CID 63574381

IUPAC2-(2-phenoxyethoxymethyl)benzohydrazide
SMILESNNC(=O)c1ccccc1COCCOc1ccccc1
InChIInChI=1S/C16H18N2O3/c17-18-16(19)15-9-5-4-6-13(15)12-20-10-11-21-14-7-2-1-3-8-14/h1-9H,10-12,17H2,(H,18,19)
InChIKeyBJYUNAKEEGRQRD-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.89
Rot. Bonds7

About 2-(2-phenoxyethoxymethyl)benzohydrazide

2-(2-phenoxyethoxymethyl)benzohydrazide (PubChem CID 63574381) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-(2-phenoxyethoxymethyl)benzohydrazide.

Molecular Properties

Compound Name2-(2-phenoxyethoxymethyl)benzohydrazide
PubChem CID63574381
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-(2-phenoxyethoxymethyl)benzohydrazide
SMILESNNC(=O)c1ccccc1COCCOc1ccccc1
InChIInChI=1S/C16H18N2O3/c17-18-16(19)15-9-5-4-6-13(15)12-20-10-11-21-14-7-2-1-3-8-14/h1-9H,10-12,17H2,(H,18,19)
InChIKeyBJYUNAKEEGRQRD-UHFFFAOYSA-N
XLogP1.89
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-[(4-ethoxyphenoxy)methyl]benzohydrazide
CID 63577001
2-[(4-cyanophenoxy)methyl]benzohydrazide
CID 63574454
2-(cyclopropylmethoxymethyl)benzohydrazide
CID 63575207
2-[(3-iodophenoxy)methyl]benzohydrazide
CID 63576085
2-[[2-(hydroxymethyl)phenoxy]methyl]benzohydrazide
CID 63680399
N-[2-(hydrazinecarbonyl)phenyl]-2-phenoxyacetamide
CID 10613129
2-[(2-methoxyphenoxy)methyl]benzohydrazide
CID 63576535
2-[(2-chlorophenoxy)methyl]benzohydrazide
CID 63576691
5-chloro-2-(2-phenoxyethoxy)benzohydrazide
CID 54795635
2-(1-phenylethoxymethyl)benzohydrazide
CID 63576452
2-[(6-methyl-3-pyridinyl)oxymethyl]benzohydrazide
CID 63568937
2-(2-phenoxyethyl)benzamide
CID 68945309

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenoxyethoxymethyl)benzohydrazide?
The IUPAC name of 2-(2-phenoxyethoxymethyl)benzohydrazide (CID 63574381) is 2-(2-phenoxyethoxymethyl)benzohydrazide.
What is the SMILES notation for 2-(2-phenoxyethoxymethyl)benzohydrazide?
The canonical SMILES for 2-(2-phenoxyethoxymethyl)benzohydrazide is NNC(=O)c1ccccc1COCCOc1ccccc1.
What is the InChIKey of 2-(2-phenoxyethoxymethyl)benzohydrazide?
The InChIKey is BJYUNAKEEGRQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c17-18-16(19)15-9-5-4-6-13(15)12-20-10-11-21-14-7-2-1-3-8-14/h1-9H,10-12,17H2,(H,18,19).
What are the key properties of 2-(2-phenoxyethoxymethyl)benzohydrazide?
2-(2-phenoxyethoxymethyl)benzohydrazide has a molecular weight of 286.33 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenoxyethoxymethyl)benzohydrazide is sourced from PubChem (CID 63574381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).