2-[1-[(2-methoxynaphthalen-1-yl)methyl]-2-methylindol-3-yl]acetohydrazide

C₂₃H₂₃N₃O₂ — CID 15837961

About 2-[1-[(2-methoxynaphthalen-1-yl)methyl]-2-methylindol-3-yl]acetohydrazide

2-[1-[(2-methoxynaphthalen-1-yl)methyl]-2-methylindol-3-yl]acetohydrazide (PubChem CID 15837961) has the molecular formula C₂₃H₂₃N₃O₂ and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-[1-[(2-methoxynaphthalen-1-yl)methyl]-2-methylindol-3-yl]acetohydrazide.

Molecular Properties

• Compound Name: 2-[1-[(2-methoxynaphthalen-1-yl)methyl]-2-methylindol-3-yl]acetohydrazide
• PubChem CID: 15837961
• Molecular Formula: C₂₃H₂₃N₃O₂
• Molecular Weight: 373.46 g/mol
• Exact Mass: 373.18
• IUPAC Name: 2-[1-[(2-methoxynaphthalen-1-yl)methyl]-2-methylindol-3-yl]acetohydrazide
• SMILES: COc1ccc2ccccc2c1Cn1c(C)c(CC(=O)NN)c2ccccc21
• InChI: InChI=1S/C23H23N3O2/c1-15-19(13-23(27)25-24)18-9-5-6-10-21(18)26(15)14-20-17-8-4-3-7-16(17)11-12-22(20)28-2/h3-12H,13-14,24H2,1-2H3,(H,25,27)
• InChIKey: UUAPXEJWCVJYNP-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 69.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.46
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methoxynaphthalen-1-yl)methyl]-2-methylindol-3-yl]acetohydrazide?

The IUPAC name of 2-[1-[(2-methoxynaphthalen-1-yl)methyl]-2-methylindol-3-yl]acetohydrazide (CID 15837961) is 2-[1-[(2-methoxynaphthalen-1-yl)methyl]-2-methylindol-3-yl]acetohydrazide.

What is the SMILES notation for 2-[1-[(2-methoxynaphthalen-1-yl)methyl]-2-methylindol-3-yl]acetohydrazide?

The canonical SMILES for 2-[1-[(2-methoxynaphthalen-1-yl)methyl]-2-methylindol-3-yl]acetohydrazide is COc1ccc2ccccc2c1Cn1c(C)c(CC(=O)NN)c2ccccc21.

What is the InChIKey of 2-[1-[(2-methoxynaphthalen-1-yl)methyl]-2-methylindol-3-yl]acetohydrazide?

The InChIKey is UUAPXEJWCVJYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-15-19(13-23(27)25-24)18-9-5-6-10-21(18)26(15)14-20-17-8-4-3-7-16(17)11-12-22(20)28-2/h3-12H,13-14,24H2,1-2H3,(H,25,27).

What are the key properties of 2-[1-[(2-methoxynaphthalen-1-yl)methyl]-2-methylindol-3-yl]acetohydrazide?

2-[1-[(2-methoxynaphthalen-1-yl)methyl]-2-methylindol-3-yl]acetohydrazide has a molecular weight of 373.46 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[(2-methoxynaphthalen-1-yl)methyl]-2-methylindol-3-yl]acetohydrazide is sourced from PubChem (CID 15837961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 15837961 — identifiers, structure, computed properties (public domain)

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