4-ethoxy-N'-[2-(3-nitrophenoxy)acetyl]benzohydrazide

C17H17N3O6 — CID 46575952

IUPAC4-ethoxy-N'-[2-(3-nitrophenoxy)acetyl]benzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)COc2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C17H17N3O6/c1-2-25-14-8-6-12(7-9-14)17(22)19-18-16(21)11-26-15-5-3-4-13(10-15)20(23)24/h3-10H,2,11H2,1H3,(H,18,21)(H,19,22)
InChIKeyRRJCTGAZCVEZOF-UHFFFAOYSA-N
MW359.34 g/mol
LogP1.83
Rot. Bonds7

About 4-ethoxy-N'-[2-(3-nitrophenoxy)acetyl]benzohydrazide

4-ethoxy-N'-[2-(3-nitrophenoxy)acetyl]benzohydrazide (PubChem CID 46575952) has the molecular formula C17H17N3O6 and a molecular weight of 359.34 g/mol. Its IUPAC name is 4-ethoxy-N'-[2-(3-nitrophenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name4-ethoxy-N'-[2-(3-nitrophenoxy)acetyl]benzohydrazide
PubChem CID46575952
Molecular FormulaC17H17N3O6
Molecular Weight359.34 g/mol
Exact Mass359.11
IUPAC Name4-ethoxy-N'-[2-(3-nitrophenoxy)acetyl]benzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)COc2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C17H17N3O6/c1-2-25-14-8-6-12(7-9-14)17(22)19-18-16(21)11-26-15-5-3-4-13(10-15)20(23)24/h3-10H,2,11H2,1H3,(H,18,21)(H,19,22)
InChIKeyRRJCTGAZCVEZOF-UHFFFAOYSA-N
XLogP1.83
TPSA119.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.34
LogP ≤ 51.83
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

4-fluoro-N'-[2-(3-nitrophenoxy)acetyl]benzohydrazide
CID 86977027
4-ethyl-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
CID 78780603
N'-[2-(3,4-dimethylphenoxy)acetyl]-4-nitrobenzohydrazide
CID 3154306
4-chloro-N'-[2-(4-ethoxyphenoxy)acetyl]-3-nitrobenzohydrazide
CID 19168126
3-methyl-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
CID 932571
3-butan-2-yloxy-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
CID 17149910
4-heptoxy-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
CID 4950785
4-hexoxy-N'-[2-(4-nitrophenoxy)acetyl]benzohydrazide
CID 4930776
N'-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]-4-nitrobenzohydrazide
CID 9314835
ethyl 4-[[2-(3-nitrophenoxy)acetyl]amino]benzoate
CID 7865514
4-ethoxy-N'-[2-(2-nitrophenyl)acetyl]benzohydrazide
CID 7979562
N-[3-(3-nitrophenoxy)propyl]-4-propoxybenzamide
CID 44764822

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N'-[2-(3-nitrophenoxy)acetyl]benzohydrazide?
The IUPAC name of 4-ethoxy-N'-[2-(3-nitrophenoxy)acetyl]benzohydrazide (CID 46575952) is 4-ethoxy-N'-[2-(3-nitrophenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 4-ethoxy-N'-[2-(3-nitrophenoxy)acetyl]benzohydrazide?
The canonical SMILES for 4-ethoxy-N'-[2-(3-nitrophenoxy)acetyl]benzohydrazide is CCOc1ccc(C(=O)NNC(=O)COc2cccc([N+](=O)[O-])c2)cc1.
What is the InChIKey of 4-ethoxy-N'-[2-(3-nitrophenoxy)acetyl]benzohydrazide?
The InChIKey is RRJCTGAZCVEZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O6/c1-2-25-14-8-6-12(7-9-14)17(22)19-18-16(21)11-26-15-5-3-4-13(10-15)20(23)24/h3-10H,2,11H2,1H3,(H,18,21)(H,19,22).
What are the key properties of 4-ethoxy-N'-[2-(3-nitrophenoxy)acetyl]benzohydrazide?
4-ethoxy-N'-[2-(3-nitrophenoxy)acetyl]benzohydrazide has a molecular weight of 359.34 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N'-[2-(3-nitrophenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 46575952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).