2,4,5-trimethoxy-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide

C19H22N2O6 — CID 9470051

IUPAC2,4,5-trimethoxy-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
SMILESCOc1cc(OC)c(C(=O)NNC(=O)COc2ccccc2C)cc1OC
InChIInChI=1S/C19H22N2O6/c1-12-7-5-6-8-14(12)27-11-18(22)20-21-19(23)13-9-16(25-3)17(26-4)10-15(13)24-2/h5-10H,11H2,1-4H3,(H,20,22)(H,21,23)
InChIKeySWRYZKNINGHJIR-UHFFFAOYSA-N
MW374.39 g/mol
LogP1.86
Rot. Bonds7

About 2,4,5-trimethoxy-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide

2,4,5-trimethoxy-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide (PubChem CID 9470051) has the molecular formula C19H22N2O6 and a molecular weight of 374.39 g/mol. Its IUPAC name is 2,4,5-trimethoxy-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide.

Molecular Properties

Compound Name2,4,5-trimethoxy-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
PubChem CID9470051
Molecular FormulaC19H22N2O6
Molecular Weight374.39 g/mol
Exact Mass374.15
IUPAC Name2,4,5-trimethoxy-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
SMILESCOc1cc(OC)c(C(=O)NNC(=O)COc2ccccc2C)cc1OC
InChIInChI=1S/C19H22N2O6/c1-12-7-5-6-8-14(12)27-11-18(22)20-21-19(23)13-9-16(25-3)17(26-4)10-15(13)24-2/h5-10H,11H2,1-4H3,(H,20,22)(H,21,23)
InChIKeySWRYZKNINGHJIR-UHFFFAOYSA-N
XLogP1.86
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-methoxy-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 2709916
N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methoxynaphthalene-2-carbohydrazide
CID 9393736
2-(2,4-dimethylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide
CID 4500297
N'-[2-(2-ethoxyphenoxy)acetyl]-2-methoxybenzohydrazide
CID 18159247
2-(2-methoxyphenoxy)-N-[[[2-(2-methylphenoxy)acetyl]amino]carbamothioyl]acetamide
CID 4506420
5-chloro-N'-[2-(2,4-dimethylphenoxy)acetyl]-2-methoxybenzohydrazide
CID 24636073
2,4-dimethoxy-N'-[2-(2-phenylphenoxy)acetyl]benzohydrazide
CID 7978365
3-bromo-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide
CID 7719967
2-(2-methylphenoxy)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 5456697
5-chloro-N'-[2-(2-ethoxyphenoxy)acetyl]-2-methoxybenzohydrazide
CID 24536002
N'-[2-(2-methylphenoxy)acetyl]-2-phenylquinoline-4-carbohydrazide
CID 2309994
2-(4-chloro-2-methylphenoxy)-N'-[2-(2-methoxyphenoxy)acetyl]acetohydrazide
CID 2545386

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethoxy-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide?
The IUPAC name of 2,4,5-trimethoxy-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide (CID 9470051) is 2,4,5-trimethoxy-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide.
What is the SMILES notation for 2,4,5-trimethoxy-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide?
The canonical SMILES for 2,4,5-trimethoxy-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide is COc1cc(OC)c(C(=O)NNC(=O)COc2ccccc2C)cc1OC.
What is the InChIKey of 2,4,5-trimethoxy-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide?
The InChIKey is SWRYZKNINGHJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6/c1-12-7-5-6-8-14(12)27-11-18(22)20-21-19(23)13-9-16(25-3)17(26-4)10-15(13)24-2/h5-10H,11H2,1-4H3,(H,20,22)(H,21,23).
What are the key properties of 2,4,5-trimethoxy-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide?
2,4,5-trimethoxy-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide has a molecular weight of 374.39 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethoxy-N'-[2-(2-methylphenoxy)acetyl]benzohydrazide is sourced from PubChem (CID 9470051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).