N'-acetyl-2-(3,4-dimethoxyphenyl)acetohydrazide

C12H16N2O4 — CID 799227

IUPACN'-acetyl-2-(3,4-dimethoxyphenyl)acetohydrazide
SMILESCOc1ccc(CC(=O)NNC(C)=O)cc1OC
InChIInChI=1S/C12H16N2O4/c1-8(15)13-14-12(16)7-9-4-5-10(17-2)11(6-9)18-3/h4-6H,7H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyHAPWEBQEVIWNES-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.41
Rot. Bonds4

About N'-acetyl-2-(3,4-dimethoxyphenyl)acetohydrazide

N'-acetyl-2-(3,4-dimethoxyphenyl)acetohydrazide (PubChem CID 799227) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is N'-acetyl-2-(3,4-dimethoxyphenyl)acetohydrazide.

Molecular Properties

Compound NameN'-acetyl-2-(3,4-dimethoxyphenyl)acetohydrazide
PubChem CID799227
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC NameN'-acetyl-2-(3,4-dimethoxyphenyl)acetohydrazide
SMILESCOc1ccc(CC(=O)NNC(C)=O)cc1OC
InChIInChI=1S/C12H16N2O4/c1-8(15)13-14-12(16)7-9-4-5-10(17-2)11(6-9)18-3/h4-6H,7H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyHAPWEBQEVIWNES-UHFFFAOYSA-N
XLogP0.41
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.41
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

N'-acetyl-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetohydrazide
CID 8844824
N'-acetyl-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetohydrazide
CID 3903060
N'-[2-(3,4-dimethoxyphenyl)acetyl]-2-hydroxybenzohydrazide
CID 7535074
2-(3,4-dimethoxyphenyl)-N'-[2-(4-methoxyanilino)acetyl]acetohydrazide
CID 55350938
methyl 3-(3,4-dimethoxyphenyl)-2-oxopropanoate
CID 15852024
2-(3,4-dimethoxyphenyl)-N'-[2-(4-methylphenyl)sulfanylacetyl]acetohydrazide
CID 18277843
N-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide
CID 720355
N'-[2-(3,4-dimethoxyphenyl)acetyl]-2,5-dimethylfuran-3-carbohydrazide
CID 7808964
N'-[2-(3,4-dimethoxyphenyl)acetyl]-3,4,5-triethoxybenzohydrazide
CID 34250355
2-(3,4-dimethoxyphenyl)-N'-[2-(3-methylphenoxy)acetyl]acetohydrazide
CID 7808998
N-[2-[(2-chloroacetyl)amino]ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 108575225
2-(3,4-dimethoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 82725203

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-2-(3,4-dimethoxyphenyl)acetohydrazide?
The IUPAC name of N'-acetyl-2-(3,4-dimethoxyphenyl)acetohydrazide (CID 799227) is N'-acetyl-2-(3,4-dimethoxyphenyl)acetohydrazide.
What is the SMILES notation for N'-acetyl-2-(3,4-dimethoxyphenyl)acetohydrazide?
The canonical SMILES for N'-acetyl-2-(3,4-dimethoxyphenyl)acetohydrazide is COc1ccc(CC(=O)NNC(C)=O)cc1OC.
What is the InChIKey of N'-acetyl-2-(3,4-dimethoxyphenyl)acetohydrazide?
The InChIKey is HAPWEBQEVIWNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-8(15)13-14-12(16)7-9-4-5-10(17-2)11(6-9)18-3/h4-6H,7H2,1-3H3,(H,13,15)(H,14,16).
What are the key properties of N'-acetyl-2-(3,4-dimethoxyphenyl)acetohydrazide?
N'-acetyl-2-(3,4-dimethoxyphenyl)acetohydrazide has a molecular weight of 252.27 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-2-(3,4-dimethoxyphenyl)acetohydrazide is sourced from PubChem (CID 799227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).