1,2-bis(2-ethoxyphenyl)-2-hydrazinylideneethanone

C18H20N2O3 — CID 154414332

IUPAC1,2-bis(2-ethoxyphenyl)-2-hydrazinylideneethanone
SMILESCCOc1ccccc1C(=O)C(=NN)c1ccccc1OCC
InChIInChI=1S/C18H20N2O3/c1-3-22-15-11-7-5-9-13(15)17(20-19)18(21)14-10-6-8-12-16(14)23-4-2/h5-12H,3-4,19H2,1-2H3
InChIKeyVRZOONVTIQNVED-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.03
Rot. Bonds7

About 1,2-bis(2-ethoxyphenyl)-2-hydrazinylideneethanone

1,2-bis(2-ethoxyphenyl)-2-hydrazinylideneethanone (PubChem CID 154414332) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1,2-bis(2-ethoxyphenyl)-2-hydrazinylideneethanone.

Molecular Properties

Compound Name1,2-bis(2-ethoxyphenyl)-2-hydrazinylideneethanone
PubChem CID154414332
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name1,2-bis(2-ethoxyphenyl)-2-hydrazinylideneethanone
SMILESCCOc1ccccc1C(=O)C(=NN)c1ccccc1OCC
InChIInChI=1S/C18H20N2O3/c1-3-22-15-11-7-5-9-13(15)17(20-19)18(21)14-10-6-8-12-16(14)23-4-2/h5-12H,3-4,19H2,1-2H3
InChIKeyVRZOONVTIQNVED-UHFFFAOYSA-N
XLogP3.03
TPSA73.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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potassium;2-ethoxybenzoic acid;hydride
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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(2-ethoxyphenyl)-2-hydrazinylideneethanone?
The IUPAC name of 1,2-bis(2-ethoxyphenyl)-2-hydrazinylideneethanone (CID 154414332) is 1,2-bis(2-ethoxyphenyl)-2-hydrazinylideneethanone.
What is the SMILES notation for 1,2-bis(2-ethoxyphenyl)-2-hydrazinylideneethanone?
The canonical SMILES for 1,2-bis(2-ethoxyphenyl)-2-hydrazinylideneethanone is CCOc1ccccc1C(=O)C(=NN)c1ccccc1OCC.
What is the InChIKey of 1,2-bis(2-ethoxyphenyl)-2-hydrazinylideneethanone?
The InChIKey is VRZOONVTIQNVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-3-22-15-11-7-5-9-13(15)17(20-19)18(21)14-10-6-8-12-16(14)23-4-2/h5-12H,3-4,19H2,1-2H3.
What are the key properties of 1,2-bis(2-ethoxyphenyl)-2-hydrazinylideneethanone?
1,2-bis(2-ethoxyphenyl)-2-hydrazinylideneethanone has a molecular weight of 312.37 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(2-ethoxyphenyl)-2-hydrazinylideneethanone is sourced from PubChem (CID 154414332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).