N'-[1-(4-ethoxyphenyl)ethenyl]-2-phenylacetohydrazide

C18H20N2O2 — CID 3420448

IUPACN'-[1-(4-ethoxyphenyl)ethenyl]-2-phenylacetohydrazide
SMILESC=C(NNC(=O)Cc1ccccc1)c1ccc(OCC)cc1
InChIInChI=1S/C18H20N2O2/c1-3-22-17-11-9-16(10-12-17)14(2)19-20-18(21)13-15-7-5-4-6-8-15/h4-12,19H,2-3,13H2,1H3,(H,20,21)
InChIKeyRSYJBFKMJLAOBY-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.92
Rot. Bonds7

About N'-[1-(4-ethoxyphenyl)ethenyl]-2-phenylacetohydrazide

N'-[1-(4-ethoxyphenyl)ethenyl]-2-phenylacetohydrazide (PubChem CID 3420448) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N'-[1-(4-ethoxyphenyl)ethenyl]-2-phenylacetohydrazide.

Molecular Properties

Compound NameN'-[1-(4-ethoxyphenyl)ethenyl]-2-phenylacetohydrazide
PubChem CID3420448
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN'-[1-(4-ethoxyphenyl)ethenyl]-2-phenylacetohydrazide
SMILESC=C(NNC(=O)Cc1ccccc1)c1ccc(OCC)cc1
InChIInChI=1S/C18H20N2O2/c1-3-22-17-11-9-16(10-12-17)14(2)19-20-18(21)13-15-7-5-4-6-8-15/h4-12,19H,2-3,13H2,1H3,(H,20,21)
InChIKeyRSYJBFKMJLAOBY-UHFFFAOYSA-N
XLogP2.92
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-ethoxyphenyl)ethenyl]-2-phenylacetohydrazide?
The IUPAC name of N'-[1-(4-ethoxyphenyl)ethenyl]-2-phenylacetohydrazide (CID 3420448) is N'-[1-(4-ethoxyphenyl)ethenyl]-2-phenylacetohydrazide.
What is the SMILES notation for N'-[1-(4-ethoxyphenyl)ethenyl]-2-phenylacetohydrazide?
The canonical SMILES for N'-[1-(4-ethoxyphenyl)ethenyl]-2-phenylacetohydrazide is C=C(NNC(=O)Cc1ccccc1)c1ccc(OCC)cc1.
What is the InChIKey of N'-[1-(4-ethoxyphenyl)ethenyl]-2-phenylacetohydrazide?
The InChIKey is RSYJBFKMJLAOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-3-22-17-11-9-16(10-12-17)14(2)19-20-18(21)13-15-7-5-4-6-8-15/h4-12,19H,2-3,13H2,1H3,(H,20,21).
What are the key properties of N'-[1-(4-ethoxyphenyl)ethenyl]-2-phenylacetohydrazide?
N'-[1-(4-ethoxyphenyl)ethenyl]-2-phenylacetohydrazide has a molecular weight of 296.37 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-ethoxyphenyl)ethenyl]-2-phenylacetohydrazide is sourced from PubChem (CID 3420448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).