2-oxo-1-(2-phenylethyl)-3H-indole-3-carbohydrazide

C17H17N3O2 — CID 67548980

IUPAC2-oxo-1-(2-phenylethyl)-3H-indole-3-carbohydrazide
SMILESNNC(=O)C1C(=O)N(CCc2ccccc2)c2ccccc21
InChIInChI=1S/C17H17N3O2/c18-19-16(21)15-13-8-4-5-9-14(13)20(17(15)22)11-10-12-6-2-1-3-7-12/h1-9,15H,10-11,18H2,(H,19,21)
InChIKeyURCLDISLRCSCLT-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.35
Rot. Bonds4

About 2-oxo-1-(2-phenylethyl)-3H-indole-3-carbohydrazide

2-oxo-1-(2-phenylethyl)-3H-indole-3-carbohydrazide (PubChem CID 67548980) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-oxo-1-(2-phenylethyl)-3H-indole-3-carbohydrazide.

Molecular Properties

Compound Name2-oxo-1-(2-phenylethyl)-3H-indole-3-carbohydrazide
PubChem CID67548980
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name2-oxo-1-(2-phenylethyl)-3H-indole-3-carbohydrazide
SMILESNNC(=O)C1C(=O)N(CCc2ccccc2)c2ccccc21
InChIInChI=1S/C17H17N3O2/c18-19-16(21)15-13-8-4-5-9-14(13)20(17(15)22)11-10-12-6-2-1-3-7-12/h1-9,15H,10-11,18H2,(H,19,21)
InChIKeyURCLDISLRCSCLT-UHFFFAOYSA-N
XLogP1.35
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', '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-oxo-1-(2-phenylethyl)-3H-indole-3-carbohydrazide?
The IUPAC name of 2-oxo-1-(2-phenylethyl)-3H-indole-3-carbohydrazide (CID 67548980) is 2-oxo-1-(2-phenylethyl)-3H-indole-3-carbohydrazide.
What is the SMILES notation for 2-oxo-1-(2-phenylethyl)-3H-indole-3-carbohydrazide?
The canonical SMILES for 2-oxo-1-(2-phenylethyl)-3H-indole-3-carbohydrazide is NNC(=O)C1C(=O)N(CCc2ccccc2)c2ccccc21.
What is the InChIKey of 2-oxo-1-(2-phenylethyl)-3H-indole-3-carbohydrazide?
The InChIKey is URCLDISLRCSCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c18-19-16(21)15-13-8-4-5-9-14(13)20(17(15)22)11-10-12-6-2-1-3-7-12/h1-9,15H,10-11,18H2,(H,19,21).
What are the key properties of 2-oxo-1-(2-phenylethyl)-3H-indole-3-carbohydrazide?
2-oxo-1-(2-phenylethyl)-3H-indole-3-carbohydrazide has a molecular weight of 295.34 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-(2-phenylethyl)-3H-indole-3-carbohydrazide is sourced from PubChem (CID 67548980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).