N'-[2-(3,5-dimethylphenoxy)acetyl]-1-hydroxynaphthalene-2-carbohydrazide

C21H20N2O4 — CID 1372554

IUPACN'-[2-(3,5-dimethylphenoxy)acetyl]-1-hydroxynaphthalene-2-carbohydrazide
SMILESCc1cc(C)cc(OCC(=O)NNC(=O)c2ccc3ccccc3c2O)c1
InChIInChI=1S/C21H20N2O4/c1-13-9-14(2)11-16(10-13)27-12-19(24)22-23-21(26)18-8-7-15-5-3-4-6-17(15)20(18)25/h3-11,25H,12H2,1-2H3,(H,22,24)(H,23,26)
InChIKeyVRFWCRVWBJNNHM-UHFFFAOYSA-N
MW364.40 g/mol
LogP3.00
Rot. Bonds4

About N'-[2-(3,5-dimethylphenoxy)acetyl]-1-hydroxynaphthalene-2-carbohydrazide

N'-[2-(3,5-dimethylphenoxy)acetyl]-1-hydroxynaphthalene-2-carbohydrazide (PubChem CID 1372554) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is N'-[2-(3,5-dimethylphenoxy)acetyl]-1-hydroxynaphthalene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(3,5-dimethylphenoxy)acetyl]-1-hydroxynaphthalene-2-carbohydrazide
PubChem CID1372554
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC NameN'-[2-(3,5-dimethylphenoxy)acetyl]-1-hydroxynaphthalene-2-carbohydrazide
SMILESCc1cc(C)cc(OCC(=O)NNC(=O)c2ccc3ccccc3c2O)c1
InChIInChI=1S/C21H20N2O4/c1-13-9-14(2)11-16(10-13)27-12-19(24)22-23-21(26)18-8-7-15-5-3-4-6-17(15)20(18)25/h3-11,25H,12H2,1-2H3,(H,22,24)(H,23,26)
InChIKeyVRFWCRVWBJNNHM-UHFFFAOYSA-N
XLogP3.00
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(3,5-dimethylphenoxy)acetyl]-2-oxochromene-3-carbohydrazide
CID 1050674
3-hydroxy-N'-[2-(3-methylphenoxy)acetyl]naphthalene-2-carbohydrazide
CID 27567090
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-propan-2-ylsulfanylbenzohydrazide
CID 78771952
N'-[2-(3,5-dimethylphenoxy)acetyl]-1-benzothiophene-2-carbohydrazide
CID 30706652
N'-[2-(3,5-dimethylphenoxy)acetyl]-1H-indazole-7-carbohydrazide
CID 36855293
2-hydroxy-4-methyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 51193302
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate
CID 2558637
2-hydroxy-3-methyl-N'-(2-naphthalen-1-yloxyacetyl)benzohydrazide
CID 1358297
4-methyl-N'-(2-naphthalen-2-yloxyacetyl)benzohydrazide
CID 809232
N'-[2-(3,5-dimethylphenoxy)acetyl]-4-phenylmethoxybenzohydrazide
CID 4933087
1-(1-hydroxynaphthalen-2-yl)-3-(4-methylphenyl)propane-1,3-dione
CID 939829
N'-[2-(4-bromo-3-methylphenoxy)acetyl]naphthalene-1-carbohydrazide
CID 5210988

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,5-dimethylphenoxy)acetyl]-1-hydroxynaphthalene-2-carbohydrazide?
The IUPAC name of N'-[2-(3,5-dimethylphenoxy)acetyl]-1-hydroxynaphthalene-2-carbohydrazide (CID 1372554) is N'-[2-(3,5-dimethylphenoxy)acetyl]-1-hydroxynaphthalene-2-carbohydrazide.
What is the SMILES notation for N'-[2-(3,5-dimethylphenoxy)acetyl]-1-hydroxynaphthalene-2-carbohydrazide?
The canonical SMILES for N'-[2-(3,5-dimethylphenoxy)acetyl]-1-hydroxynaphthalene-2-carbohydrazide is Cc1cc(C)cc(OCC(=O)NNC(=O)c2ccc3ccccc3c2O)c1.
What is the InChIKey of N'-[2-(3,5-dimethylphenoxy)acetyl]-1-hydroxynaphthalene-2-carbohydrazide?
The InChIKey is VRFWCRVWBJNNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-13-9-14(2)11-16(10-13)27-12-19(24)22-23-21(26)18-8-7-15-5-3-4-6-17(15)20(18)25/h3-11,25H,12H2,1-2H3,(H,22,24)(H,23,26).
What are the key properties of N'-[2-(3,5-dimethylphenoxy)acetyl]-1-hydroxynaphthalene-2-carbohydrazide?
N'-[2-(3,5-dimethylphenoxy)acetyl]-1-hydroxynaphthalene-2-carbohydrazide has a molecular weight of 364.40 g/mol, XLogP of 3.00, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,5-dimethylphenoxy)acetyl]-1-hydroxynaphthalene-2-carbohydrazide is sourced from PubChem (CID 1372554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).