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

Benzeneacetic acid, alpha-hydroxy-4-methyl-alpha-(4-methylphenyl)-, hydrazide
CID 921280
N'-(2-methoxy-2-phenylacetyl)-3-phenylpropanehydrazide
CID 3139319
Methoxy-phenyl-acetic acid (1-p-tolyl-ethylidene)-hydrazide
CID 5779158
(4S,6R)-6-(2-phenylethyl)-4-(4-propan-2-ylphenyl)-2,4,6,7-tetrahydro-1H-pyrano[4,3-c]pyrazol-3-one
CID 53299618
2-Methoxy-2-phenylacetohydrazide
CID 381465
1-[2-[4-(2-Methylpropyl)phenyl]propanoylamino]-3-phenylmethoxyurea
CID 59052147
1-[2-[4-(2-Methylpropyl)phenyl]propanoylamino]-3-(phenylmethoxycarbamoylamino)urea
CID 59052286
rac-(2R,3R)-2-phenyloxane-3-carbohydrazide
CID 122154727
4-[4-(1-ethoxyethyl)phenyl]-6-methylpyridazin-3(2H)-one
CID 72924912
ethyl 4-[(1S)-1-(2-benzoylhydrazinyl)ethyl]benzoate
CID 14923157
2-Methoxy-2-phenylacetohydrazide;hydrochloride
CID 381464
Benzyl 3-hydrazinyl-3-oxo-2-phenylpropanoate
CID 44460038

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).