N'-[2-(3-methoxyphenyl)acetyl]-1,3-benzodioxole-5-carbohydrazide

C17H16N2O5 — CID 2815533

IUPACN'-[2-(3-methoxyphenyl)acetyl]-1,3-benzodioxole-5-carbohydrazide
SMILESCOc1cccc(CC(=O)NNC(=O)c2ccc3c(c2)OCO3)c1
InChIInChI=1S/C17H16N2O5/c1-22-13-4-2-3-11(7-13)8-16(20)18-19-17(21)12-5-6-14-15(9-12)24-10-23-14/h2-7,9H,8,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyQJPIYKCUZYICOW-UHFFFAOYSA-N
MW328.32 g/mol
LogP1.43
Rot. Bonds4

About N'-[2-(3-methoxyphenyl)acetyl]-1,3-benzodioxole-5-carbohydrazide

N'-[2-(3-methoxyphenyl)acetyl]-1,3-benzodioxole-5-carbohydrazide (PubChem CID 2815533) has the molecular formula C17H16N2O5 and a molecular weight of 328.32 g/mol. Its IUPAC name is N'-[2-(3-methoxyphenyl)acetyl]-1,3-benzodioxole-5-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(3-methoxyphenyl)acetyl]-1,3-benzodioxole-5-carbohydrazide
PubChem CID2815533
Molecular FormulaC17H16N2O5
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC NameN'-[2-(3-methoxyphenyl)acetyl]-1,3-benzodioxole-5-carbohydrazide
SMILESCOc1cccc(CC(=O)NNC(=O)c2ccc3c(c2)OCO3)c1
InChIInChI=1S/C17H16N2O5/c1-22-13-4-2-3-11(7-13)8-16(20)18-19-17(21)12-5-6-14-15(9-12)24-10-23-14/h2-7,9H,8,10H2,1H3,(H,18,20)(H,19,21)
InChIKeyQJPIYKCUZYICOW-UHFFFAOYSA-N
XLogP1.43
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-methoxyphenyl)acetyl]-1,3-benzodioxole-5-carbohydrazide?
The IUPAC name of N'-[2-(3-methoxyphenyl)acetyl]-1,3-benzodioxole-5-carbohydrazide (CID 2815533) is N'-[2-(3-methoxyphenyl)acetyl]-1,3-benzodioxole-5-carbohydrazide.
What is the SMILES notation for N'-[2-(3-methoxyphenyl)acetyl]-1,3-benzodioxole-5-carbohydrazide?
The canonical SMILES for N'-[2-(3-methoxyphenyl)acetyl]-1,3-benzodioxole-5-carbohydrazide is COc1cccc(CC(=O)NNC(=O)c2ccc3c(c2)OCO3)c1.
What is the InChIKey of N'-[2-(3-methoxyphenyl)acetyl]-1,3-benzodioxole-5-carbohydrazide?
The InChIKey is QJPIYKCUZYICOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5/c1-22-13-4-2-3-11(7-13)8-16(20)18-19-17(21)12-5-6-14-15(9-12)24-10-23-14/h2-7,9H,8,10H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N'-[2-(3-methoxyphenyl)acetyl]-1,3-benzodioxole-5-carbohydrazide?
N'-[2-(3-methoxyphenyl)acetyl]-1,3-benzodioxole-5-carbohydrazide has a molecular weight of 328.32 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-methoxyphenyl)acetyl]-1,3-benzodioxole-5-carbohydrazide is sourced from PubChem (CID 2815533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).