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

C23H23N3O2 — CID 15837961

IUPAC2-[1-[(2-methoxynaphthalen-1-yl)methyl]-2-methylindol-3-yl]acetohydrazide
SMILESCOc1ccc2ccccc2c1Cn1c(C)c(CC(=O)NN)c2ccccc21
InChIInChI=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)
InChIKeyUUAPXEJWCVJYNP-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.69
Rot. Bonds5

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 Name2-[1-[(2-methoxynaphthalen-1-yl)methyl]-2-methylindol-3-yl]acetohydrazide
PubChem CID15837961
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name2-[1-[(2-methoxynaphthalen-1-yl)methyl]-2-methylindol-3-yl]acetohydrazide
SMILESCOc1ccc2ccccc2c1Cn1c(C)c(CC(=O)NN)c2ccccc21
InChIInChI=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)
InChIKeyUUAPXEJWCVJYNP-UHFFFAOYSA-N
XLogP3.69
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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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).