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

C18H20N2O4 — CID 60589708

IUPACN'-[2-(3,4-dimethylphenoxy)acetyl]-2-hydroxy-5-methylbenzohydrazide
SMILESCc1ccc(O)c(C(=O)NNC(=O)COc2ccc(C)c(C)c2)c1
InChIInChI=1S/C18H20N2O4/c1-11-4-7-16(21)15(8-11)18(23)20-19-17(22)10-24-14-6-5-12(2)13(3)9-14/h4-9,21H,10H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyXFYLWYMLBJTECR-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.16
Rot. Bonds4

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

N'-[2-(3,4-dimethylphenoxy)acetyl]-2-hydroxy-5-methylbenzohydrazide (PubChem CID 60589708) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is N'-[2-(3,4-dimethylphenoxy)acetyl]-2-hydroxy-5-methylbenzohydrazide.

Molecular Properties

Compound NameN'-[2-(3,4-dimethylphenoxy)acetyl]-2-hydroxy-5-methylbenzohydrazide
PubChem CID60589708
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC NameN'-[2-(3,4-dimethylphenoxy)acetyl]-2-hydroxy-5-methylbenzohydrazide
SMILESCc1ccc(O)c(C(=O)NNC(=O)COc2ccc(C)c(C)c2)c1
InChIInChI=1S/C18H20N2O4/c1-11-4-7-16(21)15(8-11)18(23)20-19-17(22)10-24-14-6-5-12(2)13(3)9-14/h4-9,21H,10H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyXFYLWYMLBJTECR-UHFFFAOYSA-N
XLogP2.16
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.16
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

N'-[2-(3,4-dimethylphenoxy)acetyl]-2,4-dimethylbenzohydrazide
CID 27569378
5-chloro-N'-[2-(2,5-dimethylphenoxy)acetyl]-2-hydroxybenzohydrazide
CID 55376169
2-hydroxy-4-methyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 51193302
5-bromo-N'-[2-(3,4-dimethylphenoxy)acetyl]-2-fluorobenzohydrazide
CID 26846108
2-chloro-N'-[2-(3,4-dimethylphenoxy)acetyl]-4-fluorobenzohydrazide
CID 27569390
1-[[2-(3,4-dimethylphenoxy)acetyl]amino]-3-(4-methylphenyl)urea
CID 18871077
3-hydroxy-N'-[2-(3-methylphenoxy)acetyl]naphthalene-2-carbohydrazide
CID 27567090
N'-[2-(3,4-dimethylphenoxy)acetyl]-2-phenylmethoxybenzohydrazide
CID 4938115
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-hydroxy-5-methylbenzamide
CID 32937197
4-(difluoromethoxy)-N'-[2-(3,4-dimethylphenoxy)acetyl]benzohydrazide
CID 26846175
N'-[2-(3,4-dimethylphenoxy)acetyl]-4-nitrobenzohydrazide
CID 3154306
N'-(2-tert-butylsulfanylacetyl)-2-(3,4-dimethylphenoxy)acetohydrazide
CID 78771822

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,4-dimethylphenoxy)acetyl]-2-hydroxy-5-methylbenzohydrazide?
The IUPAC name of N'-[2-(3,4-dimethylphenoxy)acetyl]-2-hydroxy-5-methylbenzohydrazide (CID 60589708) is N'-[2-(3,4-dimethylphenoxy)acetyl]-2-hydroxy-5-methylbenzohydrazide.
What is the SMILES notation for N'-[2-(3,4-dimethylphenoxy)acetyl]-2-hydroxy-5-methylbenzohydrazide?
The canonical SMILES for N'-[2-(3,4-dimethylphenoxy)acetyl]-2-hydroxy-5-methylbenzohydrazide is Cc1ccc(O)c(C(=O)NNC(=O)COc2ccc(C)c(C)c2)c1.
What is the InChIKey of N'-[2-(3,4-dimethylphenoxy)acetyl]-2-hydroxy-5-methylbenzohydrazide?
The InChIKey is XFYLWYMLBJTECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-11-4-7-16(21)15(8-11)18(23)20-19-17(22)10-24-14-6-5-12(2)13(3)9-14/h4-9,21H,10H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of N'-[2-(3,4-dimethylphenoxy)acetyl]-2-hydroxy-5-methylbenzohydrazide?
N'-[2-(3,4-dimethylphenoxy)acetyl]-2-hydroxy-5-methylbenzohydrazide has a molecular weight of 328.37 g/mol, XLogP of 2.16, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,4-dimethylphenoxy)acetyl]-2-hydroxy-5-methylbenzohydrazide is sourced from PubChem (CID 60589708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).