N'-[2-(2-methoxyphenoxy)acetyl]-2-naphthalen-1-ylacetohydrazide

C21H20N2O4 — CID 3480178

IUPACN'-[2-(2-methoxyphenoxy)acetyl]-2-naphthalen-1-ylacetohydrazide
SMILESCOc1ccccc1OCC(=O)NNC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C21H20N2O4/c1-26-18-11-4-5-12-19(18)27-14-21(25)23-22-20(24)13-16-9-6-8-15-7-2-3-10-17(15)16/h2-12H,13-14H2,1H3,(H,22,24)(H,23,25)
InChIKeyXMZAOWJRAPTDRK-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.62
Rot. Bonds6

About N'-[2-(2-methoxyphenoxy)acetyl]-2-naphthalen-1-ylacetohydrazide

N'-[2-(2-methoxyphenoxy)acetyl]-2-naphthalen-1-ylacetohydrazide (PubChem CID 3480178) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is N'-[2-(2-methoxyphenoxy)acetyl]-2-naphthalen-1-ylacetohydrazide.

Molecular Properties

Compound NameN'-[2-(2-methoxyphenoxy)acetyl]-2-naphthalen-1-ylacetohydrazide
PubChem CID3480178
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC NameN'-[2-(2-methoxyphenoxy)acetyl]-2-naphthalen-1-ylacetohydrazide
SMILESCOc1ccccc1OCC(=O)NNC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C21H20N2O4/c1-26-18-11-4-5-12-19(18)27-14-21(25)23-22-20(24)13-16-9-6-8-15-7-2-3-10-17(15)16/h2-12H,13-14H2,1H3,(H,22,24)(H,23,25)
InChIKeyXMZAOWJRAPTDRK-UHFFFAOYSA-N
XLogP2.62
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.62
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-(2-methoxyphenoxy)acetyl]-2-naphthalen-1-ylacetohydrazide?
The IUPAC name of N'-[2-(2-methoxyphenoxy)acetyl]-2-naphthalen-1-ylacetohydrazide (CID 3480178) is N'-[2-(2-methoxyphenoxy)acetyl]-2-naphthalen-1-ylacetohydrazide.
What is the SMILES notation for N'-[2-(2-methoxyphenoxy)acetyl]-2-naphthalen-1-ylacetohydrazide?
The canonical SMILES for N'-[2-(2-methoxyphenoxy)acetyl]-2-naphthalen-1-ylacetohydrazide is COc1ccccc1OCC(=O)NNC(=O)Cc1cccc2ccccc12.
What is the InChIKey of N'-[2-(2-methoxyphenoxy)acetyl]-2-naphthalen-1-ylacetohydrazide?
The InChIKey is XMZAOWJRAPTDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-26-18-11-4-5-12-19(18)27-14-21(25)23-22-20(24)13-16-9-6-8-15-7-2-3-10-17(15)16/h2-12H,13-14H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(2-methoxyphenoxy)acetyl]-2-naphthalen-1-ylacetohydrazide?
N'-[2-(2-methoxyphenoxy)acetyl]-2-naphthalen-1-ylacetohydrazide has a molecular weight of 364.40 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-methoxyphenoxy)acetyl]-2-naphthalen-1-ylacetohydrazide is sourced from PubChem (CID 3480178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).