N'-[2-(2,4-dimethylphenoxy)acetyl]-3,5-dimethylbenzohydrazide

C19H22N2O3 — CID 912611

IUPACN'-[2-(2,4-dimethylphenoxy)acetyl]-3,5-dimethylbenzohydrazide
SMILESCc1cc(C)cc(C(=O)NNC(=O)COc2ccc(C)cc2C)c1
InChIInChI=1S/C19H22N2O3/c1-12-5-6-17(15(4)8-12)24-11-18(22)20-21-19(23)16-9-13(2)7-14(3)10-16/h5-10H,11H2,1-4H3,(H,20,22)(H,21,23)
InChIKeySHQSPKLPPUJXML-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.76
Rot. Bonds4

About N'-[2-(2,4-dimethylphenoxy)acetyl]-3,5-dimethylbenzohydrazide

N'-[2-(2,4-dimethylphenoxy)acetyl]-3,5-dimethylbenzohydrazide (PubChem CID 912611) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N'-[2-(2,4-dimethylphenoxy)acetyl]-3,5-dimethylbenzohydrazide.

Molecular Properties

Compound NameN'-[2-(2,4-dimethylphenoxy)acetyl]-3,5-dimethylbenzohydrazide
PubChem CID912611
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN'-[2-(2,4-dimethylphenoxy)acetyl]-3,5-dimethylbenzohydrazide
SMILESCc1cc(C)cc(C(=O)NNC(=O)COc2ccc(C)cc2C)c1
InChIInChI=1S/C19H22N2O3/c1-12-5-6-17(15(4)8-12)24-11-18(22)20-21-19(23)16-9-13(2)7-14(3)10-16/h5-10H,11H2,1-4H3,(H,20,22)(H,21,23)
InChIKeySHQSPKLPPUJXML-UHFFFAOYSA-N
XLogP2.76
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.76
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]benzohydrazide
CID 909269
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
N'-[2-(2,4-dimethylphenoxy)acetyl]-1H-pyrrole-2-carbohydrazide
CID 78816084
2-(2,4-dimethylphenoxy)-N-methylacetamide
CID 965410
2-chloro-N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide
CID 909280
3-bromo-4-tert-butyl-N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide
CID 4500815
N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methylbenzohydrazide
CID 965967
2-(2,4-dimethylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide
CID 4500297
5-chloro-N'-[2-(2,4-dimethylphenoxy)acetyl]-2-methoxybenzohydrazide
CID 24636073
3-butan-2-yloxy-N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide
CID 17149862

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,4-dimethylphenoxy)acetyl]-3,5-dimethylbenzohydrazide?
The IUPAC name of N'-[2-(2,4-dimethylphenoxy)acetyl]-3,5-dimethylbenzohydrazide (CID 912611) is N'-[2-(2,4-dimethylphenoxy)acetyl]-3,5-dimethylbenzohydrazide.
What is the SMILES notation for N'-[2-(2,4-dimethylphenoxy)acetyl]-3,5-dimethylbenzohydrazide?
The canonical SMILES for N'-[2-(2,4-dimethylphenoxy)acetyl]-3,5-dimethylbenzohydrazide is Cc1cc(C)cc(C(=O)NNC(=O)COc2ccc(C)cc2C)c1.
What is the InChIKey of N'-[2-(2,4-dimethylphenoxy)acetyl]-3,5-dimethylbenzohydrazide?
The InChIKey is SHQSPKLPPUJXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-12-5-6-17(15(4)8-12)24-11-18(22)20-21-19(23)16-9-13(2)7-14(3)10-16/h5-10H,11H2,1-4H3,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(2,4-dimethylphenoxy)acetyl]-3,5-dimethylbenzohydrazide?
N'-[2-(2,4-dimethylphenoxy)acetyl]-3,5-dimethylbenzohydrazide has a molecular weight of 326.40 g/mol, XLogP of 2.76, 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]-3,5-dimethylbenzohydrazide is sourced from PubChem (CID 912611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).