N-(4-ethoxyphenyl)-2-indazol-1-ylacetamide

C17H17N3O2 — CID 20885370

IUPACN-(4-ethoxyphenyl)-2-indazol-1-ylacetamide
SMILESCCOc1ccc(NC(=O)Cn2ncc3ccccc32)cc1
InChIInChI=1S/C17H17N3O2/c1-2-22-15-9-7-14(8-10-15)19-17(21)12-20-16-6-4-3-5-13(16)11-18-20/h3-11H,2,12H2,1H3,(H,19,21)
InChIKeyKOWMLEAJRJLCFB-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.07
Rot. Bonds5

About N-(4-ethoxyphenyl)-2-indazol-1-ylacetamide

N-(4-ethoxyphenyl)-2-indazol-1-ylacetamide (PubChem CID 20885370) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-indazol-1-ylacetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-indazol-1-ylacetamide
PubChem CID20885370
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-(4-ethoxyphenyl)-2-indazol-1-ylacetamide
SMILESCCOc1ccc(NC(=O)Cn2ncc3ccccc32)cc1
InChIInChI=1S/C17H17N3O2/c1-2-22-15-9-7-14(8-10-15)19-17(21)12-20-16-6-4-3-5-13(16)11-18-20/h3-11H,2,12H2,1H3,(H,19,21)
InChIKeyKOWMLEAJRJLCFB-UHFFFAOYSA-N
XLogP3.07
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-indazol-1-ylacetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-indazol-1-ylacetamide (CID 20885370) is N-(4-ethoxyphenyl)-2-indazol-1-ylacetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-indazol-1-ylacetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-indazol-1-ylacetamide is CCOc1ccc(NC(=O)Cn2ncc3ccccc32)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-indazol-1-ylacetamide?
The InChIKey is KOWMLEAJRJLCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-2-22-15-9-7-14(8-10-15)19-17(21)12-20-16-6-4-3-5-13(16)11-18-20/h3-11H,2,12H2,1H3,(H,19,21).
What are the key properties of N-(4-ethoxyphenyl)-2-indazol-1-ylacetamide?
N-(4-ethoxyphenyl)-2-indazol-1-ylacetamide has a molecular weight of 295.34 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-indazol-1-ylacetamide is sourced from PubChem (CID 20885370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).