2-(1-benzyl-2-ethyl-5-methoxyindol-3-yl)acetohydrazide

C20H23N3O2 — CID 10568956

IUPAC2-(1-benzyl-2-ethyl-5-methoxyindol-3-yl)acetohydrazide
SMILESCCc1c(CC(=O)NN)c2cc(OC)ccc2n1Cc1ccccc1
InChIInChI=1S/C20H23N3O2/c1-3-18-17(12-20(24)22-21)16-11-15(25-2)9-10-19(16)23(18)13-14-7-5-4-6-8-14/h4-11H,3,12-13,21H2,1-2H3,(H,22,24)
InChIKeySSSAVGZSFZBVMQ-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.79
Rot. Bonds6

About 2-(1-benzyl-2-ethyl-5-methoxyindol-3-yl)acetohydrazide

2-(1-benzyl-2-ethyl-5-methoxyindol-3-yl)acetohydrazide (PubChem CID 10568956) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-(1-benzyl-2-ethyl-5-methoxyindol-3-yl)acetohydrazide.

Molecular Properties

Compound Name2-(1-benzyl-2-ethyl-5-methoxyindol-3-yl)acetohydrazide
PubChem CID10568956
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name2-(1-benzyl-2-ethyl-5-methoxyindol-3-yl)acetohydrazide
SMILESCCc1c(CC(=O)NN)c2cc(OC)ccc2n1Cc1ccccc1
InChIInChI=1S/C20H23N3O2/c1-3-18-17(12-20(24)22-21)16-11-15(25-2)9-10-19(16)23(18)13-14-7-5-4-6-8-14/h4-11H,3,12-13,21H2,1-2H3,(H,22,24)
InChIKeySSSAVGZSFZBVMQ-UHFFFAOYSA-N
XLogP2.79
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.79
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-benzyl-2-ethyl-5-methoxyindol-3-yl)acetohydrazide?
The IUPAC name of 2-(1-benzyl-2-ethyl-5-methoxyindol-3-yl)acetohydrazide (CID 10568956) is 2-(1-benzyl-2-ethyl-5-methoxyindol-3-yl)acetohydrazide.
What is the SMILES notation for 2-(1-benzyl-2-ethyl-5-methoxyindol-3-yl)acetohydrazide?
The canonical SMILES for 2-(1-benzyl-2-ethyl-5-methoxyindol-3-yl)acetohydrazide is CCc1c(CC(=O)NN)c2cc(OC)ccc2n1Cc1ccccc1.
What is the InChIKey of 2-(1-benzyl-2-ethyl-5-methoxyindol-3-yl)acetohydrazide?
The InChIKey is SSSAVGZSFZBVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-3-18-17(12-20(24)22-21)16-11-15(25-2)9-10-19(16)23(18)13-14-7-5-4-6-8-14/h4-11H,3,12-13,21H2,1-2H3,(H,22,24).
What are the key properties of 2-(1-benzyl-2-ethyl-5-methoxyindol-3-yl)acetohydrazide?
2-(1-benzyl-2-ethyl-5-methoxyindol-3-yl)acetohydrazide has a molecular weight of 337.42 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-2-ethyl-5-methoxyindol-3-yl)acetohydrazide is sourced from PubChem (CID 10568956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).