2-hydroxy-4-methyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide

C17H18N2O4 — CID 51193302

IUPAC2-hydroxy-4-methyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
SMILESCc1cccc(OCC(=O)NNC(=O)c2ccc(C)cc2O)c1
InChIInChI=1S/C17H18N2O4/c1-11-4-3-5-13(8-11)23-10-16(21)18-19-17(22)14-7-6-12(2)9-15(14)20/h3-9,20H,10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyIDTFJBPRYGQVJU-UHFFFAOYSA-N
MW314.34 g/mol
LogP1.85
Rot. Bonds4

About 2-hydroxy-4-methyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide

2-hydroxy-4-methyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide (PubChem CID 51193302) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 2-hydroxy-4-methyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name2-hydroxy-4-methyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
PubChem CID51193302
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name2-hydroxy-4-methyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
SMILESCc1cccc(OCC(=O)NNC(=O)c2ccc(C)cc2O)c1
InChIInChI=1S/C17H18N2O4/c1-11-4-3-5-13(8-11)23-10-16(21)18-19-17(22)14-7-6-12(2)9-15(14)20/h3-9,20H,10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyIDTFJBPRYGQVJU-UHFFFAOYSA-N
XLogP1.85
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.85
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

3-hydroxy-N'-[2-(3-methylphenoxy)acetyl]naphthalene-2-carbohydrazide
CID 27567090
3-methyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 732321
2-chloro-4-fluoro-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 51146468
N-methyl-2-(3-methylphenoxy)acetamide
CID 15943355
methyl 3-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-3-oxopropanoate
CID 28638195
N'-[2-(3-methylphenoxy)acetyl]-2-propoxybenzohydrazide
CID 4931604
2-ethoxy-N'-[2-(3-methylphenoxy)acetyl]acetohydrazide
CID 17140856
4-benzoyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 7601018
N'-[2-(3,4-dimethylphenoxy)acetyl]-2-hydroxy-5-methylbenzohydrazide
CID 60589708
N'-[2-(3,4-dimethylphenoxy)acetyl]-2,4-dimethylbenzohydrazide
CID 27569378
N'-[2-(3-methylphenoxy)acetyl]-3-(2-phenoxyethoxy)benzohydrazide
CID 4955104
N'-[2-(3-methylphenoxy)acetyl]furan-3-carbohydrazide
CID 51264727

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide?
The IUPAC name of 2-hydroxy-4-methyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide (CID 51193302) is 2-hydroxy-4-methyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 2-hydroxy-4-methyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide?
The canonical SMILES for 2-hydroxy-4-methyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide is Cc1cccc(OCC(=O)NNC(=O)c2ccc(C)cc2O)c1.
What is the InChIKey of 2-hydroxy-4-methyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide?
The InChIKey is IDTFJBPRYGQVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-11-4-3-5-13(8-11)23-10-16(21)18-19-17(22)14-7-6-12(2)9-15(14)20/h3-9,20H,10H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of 2-hydroxy-4-methyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide?
2-hydroxy-4-methyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide has a molecular weight of 314.34 g/mol, XLogP of 1.85, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 51193302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).