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

C18H17N3O5 — CID 27698502

IUPACN'-[2-(4-cyano-2-ethoxyphenoxy)acetyl]-2-hydroxybenzohydrazide
SMILESCCOc1cc(C#N)ccc1OCC(=O)NNC(=O)c1ccccc1O
InChIInChI=1S/C18H17N3O5/c1-2-25-16-9-12(10-19)7-8-15(16)26-11-17(23)20-21-18(24)13-5-3-4-6-14(13)22/h3-9,22H,2,11H2,1H3,(H,20,23)(H,21,24)
InChIKeyDGRPLMRBFKZHMK-UHFFFAOYSA-N
MW355.35 g/mol
LogP1.50
Rot. Bonds6

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

N'-[2-(4-cyano-2-ethoxyphenoxy)acetyl]-2-hydroxybenzohydrazide (PubChem CID 27698502) has the molecular formula C18H17N3O5 and a molecular weight of 355.35 g/mol. Its IUPAC name is N'-[2-(4-cyano-2-ethoxyphenoxy)acetyl]-2-hydroxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-cyano-2-ethoxyphenoxy)acetyl]-2-hydroxybenzohydrazide
PubChem CID27698502
Molecular FormulaC18H17N3O5
Molecular Weight355.35 g/mol
Exact Mass355.12
IUPAC NameN'-[2-(4-cyano-2-ethoxyphenoxy)acetyl]-2-hydroxybenzohydrazide
SMILESCCOc1cc(C#N)ccc1OCC(=O)NNC(=O)c1ccccc1O
InChIInChI=1S/C18H17N3O5/c1-2-25-16-9-12(10-19)7-8-15(16)26-11-17(23)20-21-18(24)13-5-3-4-6-14(13)22/h3-9,22H,2,11H2,1H3,(H,20,23)(H,21,24)
InChIKeyDGRPLMRBFKZHMK-UHFFFAOYSA-N
XLogP1.50
TPSA120.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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]benzohydrazide
CID 27006212
2-(4-cyano-2-ethoxyphenoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 86925041
3-ethoxy-4-phenacyloxybenzonitrile
CID 7993363
N'-[2-(2-ethoxyphenoxy)acetyl]-2-iodobenzohydrazide
CID 55334001
benzyl 2-(4-cyano-2-ethoxyphenoxy)acetate
CID 27725620
2-(4-cyano-2-ethoxyphenoxy)-N-cyclopentylacetamide
CID 7993285
N'-[2-(2-ethoxyphenoxy)acetyl]-2-methoxybenzohydrazide
CID 18159247
4-[2-(2-acetylphenoxy)ethoxy]-3-ethoxybenzonitrile
CID 17488542
3-ethoxy-4-phenylmethoxybenzonitrile;3-oxobutanoic acid
CID 174551287
2-(4-cyano-2-ethoxyphenoxy)-N-(2,5-difluorophenyl)acetamide
CID 7992848
N-(4-tert-butylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide
CID 7993191
3-[[2-(4-cyano-2-ethoxyphenoxy)acetyl]amino]-N-ethylbenzamide
CID 8561169

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-cyano-2-ethoxyphenoxy)acetyl]-2-hydroxybenzohydrazide?
The IUPAC name of N'-[2-(4-cyano-2-ethoxyphenoxy)acetyl]-2-hydroxybenzohydrazide (CID 27698502) is N'-[2-(4-cyano-2-ethoxyphenoxy)acetyl]-2-hydroxybenzohydrazide.
What is the SMILES notation for N'-[2-(4-cyano-2-ethoxyphenoxy)acetyl]-2-hydroxybenzohydrazide?
The canonical SMILES for N'-[2-(4-cyano-2-ethoxyphenoxy)acetyl]-2-hydroxybenzohydrazide is CCOc1cc(C#N)ccc1OCC(=O)NNC(=O)c1ccccc1O.
What is the InChIKey of N'-[2-(4-cyano-2-ethoxyphenoxy)acetyl]-2-hydroxybenzohydrazide?
The InChIKey is DGRPLMRBFKZHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5/c1-2-25-16-9-12(10-19)7-8-15(16)26-11-17(23)20-21-18(24)13-5-3-4-6-14(13)22/h3-9,22H,2,11H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N'-[2-(4-cyano-2-ethoxyphenoxy)acetyl]-2-hydroxybenzohydrazide?
N'-[2-(4-cyano-2-ethoxyphenoxy)acetyl]-2-hydroxybenzohydrazide has a molecular weight of 355.35 g/mol, XLogP of 1.50, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-cyano-2-ethoxyphenoxy)acetyl]-2-hydroxybenzohydrazide is sourced from PubChem (CID 27698502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).