2-[4-(1-phenylethoxymethyl)phenyl]acetohydrazide

C17H20N2O2 — CID 105351383

IUPAC2-[4-(1-phenylethoxymethyl)phenyl]acetohydrazide
SMILESCC(OCc1ccc(CC(=O)NN)cc1)c1ccccc1
InChIInChI=1S/C17H20N2O2/c1-13(16-5-3-2-4-6-16)21-12-15-9-7-14(8-10-15)11-17(20)19-18/h2-10,13H,11-12,18H2,1H3,(H,19,20)
InChIKeyROSXBRNIIARFFJ-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.50
Rot. Bonds6

About 2-[4-(1-phenylethoxymethyl)phenyl]acetohydrazide

2-[4-(1-phenylethoxymethyl)phenyl]acetohydrazide (PubChem CID 105351383) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[4-(1-phenylethoxymethyl)phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[4-(1-phenylethoxymethyl)phenyl]acetohydrazide
PubChem CID105351383
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-[4-(1-phenylethoxymethyl)phenyl]acetohydrazide
SMILESCC(OCc1ccc(CC(=O)NN)cc1)c1ccccc1
InChIInChI=1S/C17H20N2O2/c1-13(16-5-3-2-4-6-16)21-12-15-9-7-14(8-10-15)11-17(20)19-18/h2-10,13H,11-12,18H2,1H3,(H,19,20)
InChIKeyROSXBRNIIARFFJ-UHFFFAOYSA-N
XLogP2.50
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(1-phenylethoxymethyl)phenyl]propanoic acid
CID 105344853
2-(1-phenylethoxymethyl)benzohydrazide
CID 63576452
4-(1-phenylmethoxyethyl)benzoic acid
CID 174549407
N-ethyl-2-[4-(1-phenylethoxymethyl)phenyl]ethanamine
CID 105349406
1-methyl-4-(1-phenylmethoxyethyl)benzene
CID 135034119
[(1S)-1-phenylethyl] 2-phenylacetate
CID 70824875
methyl (2S)-2-amino-3-(1-phenylethoxy)propanoate
CID 67177747
N-(2-aminoethyl)-2-(1-phenylethoxy)acetamide
CID 61208870
2-[4-(2-propoxyethoxymethyl)phenyl]acetohydrazide
CID 105351528
2-[4-(aminomethyl)phenyl]-N-[(1R)-1-phenylethyl]acetamide
CID 107863936
methyl 3-methyl-2-phenylmethoxybutanoate
CID 13289114
diethyl 3-phenylmethoxypentanedioate
CID 73212048

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-phenylethoxymethyl)phenyl]acetohydrazide?
The IUPAC name of 2-[4-(1-phenylethoxymethyl)phenyl]acetohydrazide (CID 105351383) is 2-[4-(1-phenylethoxymethyl)phenyl]acetohydrazide.
What is the SMILES notation for 2-[4-(1-phenylethoxymethyl)phenyl]acetohydrazide?
The canonical SMILES for 2-[4-(1-phenylethoxymethyl)phenyl]acetohydrazide is CC(OCc1ccc(CC(=O)NN)cc1)c1ccccc1.
What is the InChIKey of 2-[4-(1-phenylethoxymethyl)phenyl]acetohydrazide?
The InChIKey is ROSXBRNIIARFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-13(16-5-3-2-4-6-16)21-12-15-9-7-14(8-10-15)11-17(20)19-18/h2-10,13H,11-12,18H2,1H3,(H,19,20).
What are the key properties of 2-[4-(1-phenylethoxymethyl)phenyl]acetohydrazide?
2-[4-(1-phenylethoxymethyl)phenyl]acetohydrazide has a molecular weight of 284.36 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-phenylethoxymethyl)phenyl]acetohydrazide is sourced from PubChem (CID 105351383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).