N'-[1-(4-aminophenyl)ethenyl]-2-(4-methoxyphenyl)acetohydrazide

C17H19N3O2 — CID 4087275

IUPACN'-[1-(4-aminophenyl)ethenyl]-2-(4-methoxyphenyl)acetohydrazide
SMILESC=C(NNC(=O)Cc1ccc(OC)cc1)c1ccc(N)cc1
InChIInChI=1S/C17H19N3O2/c1-12(14-5-7-15(18)8-6-14)19-20-17(21)11-13-3-9-16(22-2)10-4-13/h3-10,19H,1,11,18H2,2H3,(H,20,21)
InChIKeyJGLLIEUXHLASLB-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.11
Rot. Bonds6

About N'-[1-(4-aminophenyl)ethenyl]-2-(4-methoxyphenyl)acetohydrazide

N'-[1-(4-aminophenyl)ethenyl]-2-(4-methoxyphenyl)acetohydrazide (PubChem CID 4087275) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N'-[1-(4-aminophenyl)ethenyl]-2-(4-methoxyphenyl)acetohydrazide.

Molecular Properties

Compound NameN'-[1-(4-aminophenyl)ethenyl]-2-(4-methoxyphenyl)acetohydrazide
PubChem CID4087275
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN'-[1-(4-aminophenyl)ethenyl]-2-(4-methoxyphenyl)acetohydrazide
SMILESC=C(NNC(=O)Cc1ccc(OC)cc1)c1ccc(N)cc1
InChIInChI=1S/C17H19N3O2/c1-12(14-5-7-15(18)8-6-14)19-20-17(21)11-13-3-9-16(22-2)10-4-13/h3-10,19H,1,11,18H2,2H3,(H,20,21)
InChIKeyJGLLIEUXHLASLB-UHFFFAOYSA-N
XLogP2.11
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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-aminophenyl)ethenyl]-2-(4-methoxyphenyl)acetohydrazide?
The IUPAC name of N'-[1-(4-aminophenyl)ethenyl]-2-(4-methoxyphenyl)acetohydrazide (CID 4087275) is N'-[1-(4-aminophenyl)ethenyl]-2-(4-methoxyphenyl)acetohydrazide.
What is the SMILES notation for N'-[1-(4-aminophenyl)ethenyl]-2-(4-methoxyphenyl)acetohydrazide?
The canonical SMILES for N'-[1-(4-aminophenyl)ethenyl]-2-(4-methoxyphenyl)acetohydrazide is C=C(NNC(=O)Cc1ccc(OC)cc1)c1ccc(N)cc1.
What is the InChIKey of N'-[1-(4-aminophenyl)ethenyl]-2-(4-methoxyphenyl)acetohydrazide?
The InChIKey is JGLLIEUXHLASLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-12(14-5-7-15(18)8-6-14)19-20-17(21)11-13-3-9-16(22-2)10-4-13/h3-10,19H,1,11,18H2,2H3,(H,20,21).
What are the key properties of N'-[1-(4-aminophenyl)ethenyl]-2-(4-methoxyphenyl)acetohydrazide?
N'-[1-(4-aminophenyl)ethenyl]-2-(4-methoxyphenyl)acetohydrazide has a molecular weight of 297.36 g/mol, XLogP of 2.11, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-aminophenyl)ethenyl]-2-(4-methoxyphenyl)acetohydrazide is sourced from PubChem (CID 4087275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).