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

C20H25N3O4 — CID 9432559

IUPAC2-(3,4-dimethoxyphenyl)-N'-[2-(2,4-dimethylanilino)acetyl]acetohydrazide
SMILESCOc1ccc(CC(=O)NNC(=O)CNc2ccc(C)cc2C)cc1OC
InChIInChI=1S/C20H25N3O4/c1-13-5-7-16(14(2)9-13)21-12-20(25)23-22-19(24)11-15-6-8-17(26-3)18(10-15)27-4/h5-10,21H,11-12H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyOITYPQDHPGLWCA-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.12
Rot. Bonds7

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

2-(3,4-dimethoxyphenyl)-N'-[2-(2,4-dimethylanilino)acetyl]acetohydrazide (PubChem CID 9432559) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N'-[2-(2,4-dimethylanilino)acetyl]acetohydrazide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N'-[2-(2,4-dimethylanilino)acetyl]acetohydrazide
PubChem CID9432559
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name2-(3,4-dimethoxyphenyl)-N'-[2-(2,4-dimethylanilino)acetyl]acetohydrazide
SMILESCOc1ccc(CC(=O)NNC(=O)CNc2ccc(C)cc2C)cc1OC
InChIInChI=1S/C20H25N3O4/c1-13-5-7-16(14(2)9-13)21-12-20(25)23-22-19(24)11-15-6-8-17(26-3)18(10-15)27-4/h5-10,21H,11-12H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyOITYPQDHPGLWCA-UHFFFAOYSA-N
XLogP2.12
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-(2,4-dimethylanilino)acetamide
CID 9081068
2-(4-chlorophenyl)-N'-[2-(2,4-dimethylanilino)acetyl]acetohydrazide
CID 7923263
2-(3,4-dimethoxyphenyl)-N'-[2-(4-methoxyanilino)acetyl]acetohydrazide
CID 55350938
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2,4-dimethylanilino)propanamide
CID 109027746
2-(3,4-dimethoxyphenyl)-N'-[2-(4-methylphenyl)sulfanylacetyl]acetohydrazide
CID 18277843
N'-acetyl-2-(3,4-dimethoxyphenyl)acetohydrazide
CID 799227
4-(4-cyano-2-methoxyphenoxy)-N'-[2-(2,4-dimethylanilino)acetyl]butanehydrazide
CID 56502865
2-(3,4-dimethoxyphenyl)-N'-[2-(3-methylphenoxy)acetyl]acetohydrazide
CID 7808998
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2,4-dimethylphenyl)propanediamide
CID 108949721
methyl 2-(2,4-dimethylanilino)acetate
CID 28564487
N'-[2-(2,4-dimethylanilino)acetyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbohydrazide
CID 56502479
2-(2,4-dimethylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9081065

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N'-[2-(2,4-dimethylanilino)acetyl]acetohydrazide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N'-[2-(2,4-dimethylanilino)acetyl]acetohydrazide (CID 9432559) is 2-(3,4-dimethoxyphenyl)-N'-[2-(2,4-dimethylanilino)acetyl]acetohydrazide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N'-[2-(2,4-dimethylanilino)acetyl]acetohydrazide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N'-[2-(2,4-dimethylanilino)acetyl]acetohydrazide is COc1ccc(CC(=O)NNC(=O)CNc2ccc(C)cc2C)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N'-[2-(2,4-dimethylanilino)acetyl]acetohydrazide?
The InChIKey is OITYPQDHPGLWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-13-5-7-16(14(2)9-13)21-12-20(25)23-22-19(24)11-15-6-8-17(26-3)18(10-15)27-4/h5-10,21H,11-12H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N'-[2-(2,4-dimethylanilino)acetyl]acetohydrazide?
2-(3,4-dimethoxyphenyl)-N'-[2-(2,4-dimethylanilino)acetyl]acetohydrazide has a molecular weight of 371.44 g/mol, XLogP of 2.12, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N'-[2-(2,4-dimethylanilino)acetyl]acetohydrazide is sourced from PubChem (CID 9432559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).