N'-[2-(3,5-dimethylphenoxy)acetyl]-3-(methoxymethyl)benzohydrazide

C19H22N2O4 — CID 26259356

IUPACN'-[2-(3,5-dimethylphenoxy)acetyl]-3-(methoxymethyl)benzohydrazide
SMILESCOCc1cccc(C(=O)NNC(=O)COc2cc(C)cc(C)c2)c1
InChIInChI=1S/C19H22N2O4/c1-13-7-14(2)9-17(8-13)25-12-18(22)20-21-19(23)16-6-4-5-15(10-16)11-24-3/h4-10H,11-12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyUFHSRDVHMDMCDF-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.29
Rot. Bonds6

About N'-[2-(3,5-dimethylphenoxy)acetyl]-3-(methoxymethyl)benzohydrazide

N'-[2-(3,5-dimethylphenoxy)acetyl]-3-(methoxymethyl)benzohydrazide (PubChem CID 26259356) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is N'-[2-(3,5-dimethylphenoxy)acetyl]-3-(methoxymethyl)benzohydrazide.

Molecular Properties

Compound NameN'-[2-(3,5-dimethylphenoxy)acetyl]-3-(methoxymethyl)benzohydrazide
PubChem CID26259356
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC NameN'-[2-(3,5-dimethylphenoxy)acetyl]-3-(methoxymethyl)benzohydrazide
SMILESCOCc1cccc(C(=O)NNC(=O)COc2cc(C)cc(C)c2)c1
InChIInChI=1S/C19H22N2O4/c1-13-7-14(2)9-17(8-13)25-12-18(22)20-21-19(23)16-6-4-5-15(10-16)11-24-3/h4-10H,11-12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyUFHSRDVHMDMCDF-UHFFFAOYSA-N
XLogP2.29
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.29
H-Bond Donors ≤ 52
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-methyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 732321
N'-[2-(3,5-dimethylphenoxy)acetyl]-4-phenylmethoxybenzohydrazide
CID 4933087
3-butan-2-yloxy-N'-[2-(3,5-dimethylphenoxy)acetyl]benzohydrazide
CID 17149863
N'-[2-(3,5-dimethylphenoxy)acetyl]-3,4-difluorobenzohydrazide
CID 30483036
3-bromo-N'-[2-(3,5-dimethylphenoxy)acetyl]-4-methoxybenzohydrazide
CID 4501311
N'-[2-(3-methylphenoxy)acetyl]-3-(2-phenoxyethoxy)benzohydrazide
CID 4955104
4-butoxy-N'-[2-(3,5-dimethylphenoxy)acetyl]benzohydrazide
CID 4936299
N'-[2-(4-chlorophenoxy)acetyl]-3-methylbenzohydrazide
CID 732324
3,5-dichloro-N'-[2-(3,5-dimethylphenoxy)acetyl]-4-methoxybenzohydrazide
CID 9322281
3-(methoxymethyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 27783081
N'-[3-(methoxymethyl)benzoyl]-2,5-dimethylfuran-3-carbohydrazide
CID 9277099
N-[[[2-(3,5-dimethylphenoxy)acetyl]amino]carbamothioyl]benzamide
CID 4504681

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,5-dimethylphenoxy)acetyl]-3-(methoxymethyl)benzohydrazide?
The IUPAC name of N'-[2-(3,5-dimethylphenoxy)acetyl]-3-(methoxymethyl)benzohydrazide (CID 26259356) is N'-[2-(3,5-dimethylphenoxy)acetyl]-3-(methoxymethyl)benzohydrazide.
What is the SMILES notation for N'-[2-(3,5-dimethylphenoxy)acetyl]-3-(methoxymethyl)benzohydrazide?
The canonical SMILES for N'-[2-(3,5-dimethylphenoxy)acetyl]-3-(methoxymethyl)benzohydrazide is COCc1cccc(C(=O)NNC(=O)COc2cc(C)cc(C)c2)c1.
What is the InChIKey of N'-[2-(3,5-dimethylphenoxy)acetyl]-3-(methoxymethyl)benzohydrazide?
The InChIKey is UFHSRDVHMDMCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-13-7-14(2)9-17(8-13)25-12-18(22)20-21-19(23)16-6-4-5-15(10-16)11-24-3/h4-10H,11-12H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(3,5-dimethylphenoxy)acetyl]-3-(methoxymethyl)benzohydrazide?
N'-[2-(3,5-dimethylphenoxy)acetyl]-3-(methoxymethyl)benzohydrazide has a molecular weight of 342.40 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,5-dimethylphenoxy)acetyl]-3-(methoxymethyl)benzohydrazide is sourced from PubChem (CID 26259356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).