N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide

C17H18N2O3 — CID 909269

IUPACN'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide
SMILESCc1ccc(OCC(=O)NNC(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C17H18N2O3/c1-12-8-9-15(13(2)10-12)22-11-16(20)18-19-17(21)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyLXIHUZZYINRXML-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.14
Rot. Bonds4

About N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide

N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide (PubChem CID 909269) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound NameN'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide
PubChem CID909269
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide
SMILESCc1ccc(OCC(=O)NNC(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C17H18N2O3/c1-12-8-9-15(13(2)10-12)22-11-16(20)18-19-17(21)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyLXIHUZZYINRXML-UHFFFAOYSA-N
XLogP2.14
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2,4-dimethylphenoxy)acetyl]-3,5-dimethylbenzohydrazide
CID 912611
4-tert-butyl-N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide
CID 4500599
methyl 3-[[[2-(2,4-dimethylphenoxy)acetyl]amino]carbamoyl]benzoate
CID 17175383
N'-[2-(2,4-dimethylphenoxy)acetyl]-4-(2-methoxyethoxy)benzohydrazide
CID 17353575
2-chloro-N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide
CID 909280
2-(2,4-dimethylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide
CID 4500297
3-butan-2-yloxy-N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide
CID 17149862
N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methylbenzohydrazide
CID 965967
N'-[2-(2,4-dimethylphenoxy)acetyl]-1H-pyrrole-2-carbohydrazide
CID 78816084
4-chloro-N'-[2-(4-chloro-2-methylphenoxy)acetyl]benzohydrazide
CID 5182764
5-[2-[2-(2,4-dimethylphenoxy)acetyl]hydrazinyl]-5-oxopentanoic acid
CID 4949715
2-(2,4-dimethylphenoxy)-N-methylacetamide
CID 965410

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide?
The IUPAC name of N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide (CID 909269) is N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide.
What is the SMILES notation for N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide?
The canonical SMILES for N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide is Cc1ccc(OCC(=O)NNC(=O)c2ccccc2)c(C)c1.
What is the InChIKey of N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide?
The InChIKey is LXIHUZZYINRXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-12-8-9-15(13(2)10-12)22-11-16(20)18-19-17(21)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide?
N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide has a molecular weight of 298.34 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 909269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).