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

C17H18N2O4 — CID 2083285

IUPACN'-[2-(3,4-dimethoxyphenyl)acetyl]benzohydrazide
SMILESCOc1ccc(CC(=O)NNC(=O)c2ccccc2)cc1OC
InChIInChI=1S/C17H18N2O4/c1-22-14-9-8-12(10-15(14)23-2)11-16(20)18-19-17(21)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyNLCSCABRFCKGJL-UHFFFAOYSA-N
MW314.34 g/mol
LogP1.71
Rot. Bonds5

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

N'-[2-(3,4-dimethoxyphenyl)acetyl]benzohydrazide (PubChem CID 2083285) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is N'-[2-(3,4-dimethoxyphenyl)acetyl]benzohydrazide.

Molecular Properties

Compound NameN'-[2-(3,4-dimethoxyphenyl)acetyl]benzohydrazide
PubChem CID2083285
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC NameN'-[2-(3,4-dimethoxyphenyl)acetyl]benzohydrazide
SMILESCOc1ccc(CC(=O)NNC(=O)c2ccccc2)cc1OC
InChIInChI=1S/C17H18N2O4/c1-22-14-9-8-12(10-15(14)23-2)11-16(20)18-19-17(21)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyNLCSCABRFCKGJL-UHFFFAOYSA-N
XLogP1.71
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.71
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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Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,4-dimethoxyphenyl)acetyl]benzohydrazide?
The IUPAC name of N'-[2-(3,4-dimethoxyphenyl)acetyl]benzohydrazide (CID 2083285) is N'-[2-(3,4-dimethoxyphenyl)acetyl]benzohydrazide.
What is the SMILES notation for N'-[2-(3,4-dimethoxyphenyl)acetyl]benzohydrazide?
The canonical SMILES for N'-[2-(3,4-dimethoxyphenyl)acetyl]benzohydrazide is COc1ccc(CC(=O)NNC(=O)c2ccccc2)cc1OC.
What is the InChIKey of N'-[2-(3,4-dimethoxyphenyl)acetyl]benzohydrazide?
The InChIKey is NLCSCABRFCKGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-22-14-9-8-12(10-15(14)23-2)11-16(20)18-19-17(21)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N'-[2-(3,4-dimethoxyphenyl)acetyl]benzohydrazide?
N'-[2-(3,4-dimethoxyphenyl)acetyl]benzohydrazide has a molecular weight of 314.34 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,4-dimethoxyphenyl)acetyl]benzohydrazide is sourced from PubChem (CID 2083285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).