4-ethoxy-3-methoxy-N'-(2-nitrobenzoyl)benzohydrazide

C17H17N3O6 — CID 25441159

IUPAC4-ethoxy-3-methoxy-N'-(2-nitrobenzoyl)benzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])cc1OC
InChIInChI=1S/C17H17N3O6/c1-3-26-14-9-8-11(10-15(14)25-2)16(21)18-19-17(22)12-6-4-5-7-13(12)20(23)24/h4-10H,3H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyARBMYOPZDXEUGB-UHFFFAOYSA-N
MW359.34 g/mol
LogP2.08
Rot. Bonds6

About 4-ethoxy-3-methoxy-N'-(2-nitrobenzoyl)benzohydrazide

4-ethoxy-3-methoxy-N'-(2-nitrobenzoyl)benzohydrazide (PubChem CID 25441159) has the molecular formula C17H17N3O6 and a molecular weight of 359.34 g/mol. Its IUPAC name is 4-ethoxy-3-methoxy-N'-(2-nitrobenzoyl)benzohydrazide.

Molecular Properties

Compound Name4-ethoxy-3-methoxy-N'-(2-nitrobenzoyl)benzohydrazide
PubChem CID25441159
Molecular FormulaC17H17N3O6
Molecular Weight359.34 g/mol
Exact Mass359.11
IUPAC Name4-ethoxy-3-methoxy-N'-(2-nitrobenzoyl)benzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])cc1OC
InChIInChI=1S/C17H17N3O6/c1-3-26-14-9-8-11(10-15(14)25-2)16(21)18-19-17(22)12-6-4-5-7-13(12)20(23)24/h4-10H,3H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyARBMYOPZDXEUGB-UHFFFAOYSA-N
XLogP2.08
TPSA119.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.34
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethoxy-N'-(2-nitrobenzoyl)benzohydrazide
CID 3120163
N'-(4-ethoxybenzoyl)-2-nitrobenzohydrazide
CID 4948668
N'-(2-chloro-5-nitrobenzoyl)-4-ethoxy-3-methoxybenzohydrazide
CID 9439884
N'-benzoyl-4-ethoxy-3-nitrobenzohydrazide
CID 9391903
4-ethoxy-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-3-nitrobenzohydrazide
CID 9392138
3,4-dimethoxy-N'-[2-(2-nitrophenoxy)acetyl]benzohydrazide
CID 4931330
4-ethoxy-3-methoxy-N-(2-methyl-3-nitrophenyl)benzamide
CID 9394635
(3S)-3-(4-ethoxy-3-methoxyphenyl)-3-[(2-nitrobenzoyl)amino]propanoate
CID 7291212
N'-[4-(2-methoxyethoxy)benzoyl]-2-nitrobenzohydrazide
CID 17353581
N'-benzoyl-4-methoxy-3-nitrobenzohydrazide
CID 4570893
1-(3,4-dimethoxyphenyl)-5-(2-nitrophenyl)pentane-1,3,5-trione
CID 10937566
N-(2-ethoxyphenyl)-4-methoxy-3-nitrobenzamide
CID 711588

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-methoxy-N'-(2-nitrobenzoyl)benzohydrazide?
The IUPAC name of 4-ethoxy-3-methoxy-N'-(2-nitrobenzoyl)benzohydrazide (CID 25441159) is 4-ethoxy-3-methoxy-N'-(2-nitrobenzoyl)benzohydrazide.
What is the SMILES notation for 4-ethoxy-3-methoxy-N'-(2-nitrobenzoyl)benzohydrazide?
The canonical SMILES for 4-ethoxy-3-methoxy-N'-(2-nitrobenzoyl)benzohydrazide is CCOc1ccc(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])cc1OC.
What is the InChIKey of 4-ethoxy-3-methoxy-N'-(2-nitrobenzoyl)benzohydrazide?
The InChIKey is ARBMYOPZDXEUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O6/c1-3-26-14-9-8-11(10-15(14)25-2)16(21)18-19-17(22)12-6-4-5-7-13(12)20(23)24/h4-10H,3H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of 4-ethoxy-3-methoxy-N'-(2-nitrobenzoyl)benzohydrazide?
4-ethoxy-3-methoxy-N'-(2-nitrobenzoyl)benzohydrazide has a molecular weight of 359.34 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-methoxy-N'-(2-nitrobenzoyl)benzohydrazide is sourced from PubChem (CID 25441159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).