2-[(4-ethoxyphenoxy)methyl]benzohydrazide

C16H18N2O3 — CID 63577001

IUPAC2-[(4-ethoxyphenoxy)methyl]benzohydrazide
SMILESCCOc1ccc(OCc2ccccc2C(=O)NN)cc1
InChIInChI=1S/C16H18N2O3/c1-2-20-13-7-9-14(10-8-13)21-11-12-5-3-4-6-15(12)16(19)18-17/h3-10H,2,11,17H2,1H3,(H,18,19)
InChIKeyRMZUQEPGSGFZGU-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.27
Rot. Bonds6

About 2-[(4-ethoxyphenoxy)methyl]benzohydrazide

2-[(4-ethoxyphenoxy)methyl]benzohydrazide (PubChem CID 63577001) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[(4-ethoxyphenoxy)methyl]benzohydrazide.

Molecular Properties

Compound Name2-[(4-ethoxyphenoxy)methyl]benzohydrazide
PubChem CID63577001
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-[(4-ethoxyphenoxy)methyl]benzohydrazide
SMILESCCOc1ccc(OCc2ccccc2C(=O)NN)cc1
InChIInChI=1S/C16H18N2O3/c1-2-20-13-7-9-14(10-8-13)21-11-12-5-3-4-6-15(12)16(19)18-17/h3-10H,2,11,17H2,1H3,(H,18,19)
InChIKeyRMZUQEPGSGFZGU-UHFFFAOYSA-N
XLogP2.27
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.27
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-cyanophenoxy)methyl]benzohydrazide
CID 63574454
2-[(6-methyl-3-pyridinyl)oxymethyl]benzohydrazide
CID 63568937
2-[(2-methoxyphenoxy)methyl]benzohydrazide
CID 63576535
2-[(3-iodophenoxy)methyl]benzohydrazide
CID 63576085
ethyl 2-(phenoxymethyl)benzoate
CID 14674220
2-(2-phenoxyethoxymethyl)benzohydrazide
CID 63574381
2-[[2-(hydroxymethyl)phenoxy]methyl]benzohydrazide
CID 63680399
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-2-(methoxymethyl)benzamide
CID 39089763
2-[(2-chlorophenoxy)methyl]benzohydrazide
CID 63576691
4-[(2-methylphenyl)methoxy]benzohydrazide
CID 17349910
2-benzyl-N'-(4-ethoxybenzoyl)benzohydrazide
CID 26187389
[2-[(4-ethoxyphenoxy)methyl]phenyl]methanamine
CID 16792548

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenoxy)methyl]benzohydrazide?
The IUPAC name of 2-[(4-ethoxyphenoxy)methyl]benzohydrazide (CID 63577001) is 2-[(4-ethoxyphenoxy)methyl]benzohydrazide.
What is the SMILES notation for 2-[(4-ethoxyphenoxy)methyl]benzohydrazide?
The canonical SMILES for 2-[(4-ethoxyphenoxy)methyl]benzohydrazide is CCOc1ccc(OCc2ccccc2C(=O)NN)cc1.
What is the InChIKey of 2-[(4-ethoxyphenoxy)methyl]benzohydrazide?
The InChIKey is RMZUQEPGSGFZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-2-20-13-7-9-14(10-8-13)21-11-12-5-3-4-6-15(12)16(19)18-17/h3-10H,2,11,17H2,1H3,(H,18,19).
What are the key properties of 2-[(4-ethoxyphenoxy)methyl]benzohydrazide?
2-[(4-ethoxyphenoxy)methyl]benzohydrazide has a molecular weight of 286.33 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxyphenoxy)methyl]benzohydrazide is sourced from PubChem (CID 63577001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).