N'-[2-(4-cyano-2-ethoxyphenoxy)acetyl]benzohydrazide

C18H17N3O4 — CID 27006212

IUPACN'-[2-(4-cyano-2-ethoxyphenoxy)acetyl]benzohydrazide
SMILESCCOc1cc(C#N)ccc1OCC(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C18H17N3O4/c1-2-24-16-10-13(11-19)8-9-15(16)25-12-17(22)20-21-18(23)14-6-4-3-5-7-14/h3-10H,2,12H2,1H3,(H,20,22)(H,21,23)
InChIKeyIUIFZQJJYGCGMY-UHFFFAOYSA-N
MW339.35 g/mol
LogP1.80
Rot. Bonds6

About N'-[2-(4-cyano-2-ethoxyphenoxy)acetyl]benzohydrazide

N'-[2-(4-cyano-2-ethoxyphenoxy)acetyl]benzohydrazide (PubChem CID 27006212) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is N'-[2-(4-cyano-2-ethoxyphenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-cyano-2-ethoxyphenoxy)acetyl]benzohydrazide
PubChem CID27006212
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC NameN'-[2-(4-cyano-2-ethoxyphenoxy)acetyl]benzohydrazide
SMILESCCOc1cc(C#N)ccc1OCC(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C18H17N3O4/c1-2-24-16-10-13(11-19)8-9-15(16)25-12-17(22)20-21-18(23)14-6-4-3-5-7-14/h3-10H,2,12H2,1H3,(H,20,22)(H,21,23)
InChIKeyIUIFZQJJYGCGMY-UHFFFAOYSA-N
XLogP1.80
TPSA100.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-cyano-2-ethoxyphenoxy)acetyl]-2-hydroxybenzohydrazide
CID 27698502
3-ethoxy-4-phenacyloxybenzonitrile
CID 7993363
benzyl 2-(4-cyano-2-ethoxyphenoxy)acetate
CID 27725620
3-[[2-(4-cyano-2-ethoxyphenoxy)acetyl]amino]-N-ethylbenzamide
CID 8561169
4-[[[2-(4-cyano-2-ethoxyphenoxy)acetyl]amino]methyl]benzoic acid
CID 45304579
N-(4-tert-butylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide
CID 7993191
N'-[2-(2-ethoxyphenoxy)acetyl]-3,4-dipropoxybenzohydrazide
CID 55358632
3-cyano-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 8696563
N,N-dibenzyl-2-(4-cyano-2-ethoxyphenoxy)acetamide
CID 7993362
2-(4-cyano-2-ethoxyphenoxy)-N-cyclopentylacetamide
CID 7993285
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 7844494
N'-[2-(2-ethoxyphenoxy)acetyl]-4-methylbenzohydrazide
CID 7918380

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-cyano-2-ethoxyphenoxy)acetyl]benzohydrazide?
The IUPAC name of N'-[2-(4-cyano-2-ethoxyphenoxy)acetyl]benzohydrazide (CID 27006212) is N'-[2-(4-cyano-2-ethoxyphenoxy)acetyl]benzohydrazide.
What is the SMILES notation for N'-[2-(4-cyano-2-ethoxyphenoxy)acetyl]benzohydrazide?
The canonical SMILES for N'-[2-(4-cyano-2-ethoxyphenoxy)acetyl]benzohydrazide is CCOc1cc(C#N)ccc1OCC(=O)NNC(=O)c1ccccc1.
What is the InChIKey of N'-[2-(4-cyano-2-ethoxyphenoxy)acetyl]benzohydrazide?
The InChIKey is IUIFZQJJYGCGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-2-24-16-10-13(11-19)8-9-15(16)25-12-17(22)20-21-18(23)14-6-4-3-5-7-14/h3-10H,2,12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(4-cyano-2-ethoxyphenoxy)acetyl]benzohydrazide?
N'-[2-(4-cyano-2-ethoxyphenoxy)acetyl]benzohydrazide has a molecular weight of 339.35 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-cyano-2-ethoxyphenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 27006212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).