2-methyl-5-phenylmethoxy-1H-indole-3-carbohydrazide

C17H17N3O2 — CID 155558885

IUPAC2-methyl-5-phenylmethoxy-1H-indole-3-carbohydrazide
SMILESCc1[nH]c2ccc(OCc3ccccc3)cc2c1C(=O)NN
InChIInChI=1S/C17H17N3O2/c1-11-16(17(21)20-18)14-9-13(7-8-15(14)19-11)22-10-12-5-3-2-4-6-12/h2-9,19H,10,18H2,1H3,(H,20,21)
InChIKeyZQBZMMFQPBVLDN-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.66
Rot. Bonds4

About 2-methyl-5-phenylmethoxy-1H-indole-3-carbohydrazide

2-methyl-5-phenylmethoxy-1H-indole-3-carbohydrazide (PubChem CID 155558885) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-methyl-5-phenylmethoxy-1H-indole-3-carbohydrazide.

Molecular Properties

Compound Name2-methyl-5-phenylmethoxy-1H-indole-3-carbohydrazide
PubChem CID155558885
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name2-methyl-5-phenylmethoxy-1H-indole-3-carbohydrazide
SMILESCc1[nH]c2ccc(OCc3ccccc3)cc2c1C(=O)NN
InChIInChI=1S/C17H17N3O2/c1-11-16(17(21)20-18)14-9-13(7-8-15(14)19-11)22-10-12-5-3-2-4-6-12/h2-9,19H,10,18H2,1H3,(H,20,21)
InChIKeyZQBZMMFQPBVLDN-UHFFFAOYSA-N
XLogP2.66
TPSA80.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-methyl-5-phenylmethoxy-1H-indole-3-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-phenylmethoxy-1H-indole-3-carbohydrazide?
The IUPAC name of 2-methyl-5-phenylmethoxy-1H-indole-3-carbohydrazide (CID 155558885) is 2-methyl-5-phenylmethoxy-1H-indole-3-carbohydrazide.
What is the SMILES notation for 2-methyl-5-phenylmethoxy-1H-indole-3-carbohydrazide?
The canonical SMILES for 2-methyl-5-phenylmethoxy-1H-indole-3-carbohydrazide is Cc1[nH]c2ccc(OCc3ccccc3)cc2c1C(=O)NN.
What is the InChIKey of 2-methyl-5-phenylmethoxy-1H-indole-3-carbohydrazide?
The InChIKey is ZQBZMMFQPBVLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-11-16(17(21)20-18)14-9-13(7-8-15(14)19-11)22-10-12-5-3-2-4-6-12/h2-9,19H,10,18H2,1H3,(H,20,21).
What are the key properties of 2-methyl-5-phenylmethoxy-1H-indole-3-carbohydrazide?
2-methyl-5-phenylmethoxy-1H-indole-3-carbohydrazide has a molecular weight of 295.34 g/mol, XLogP of 2.66, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-phenylmethoxy-1H-indole-3-carbohydrazide is sourced from PubChem (CID 155558885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).