N-(3,4-dimethoxyphenyl)-2-indazol-1-ylacetamide

C17H17N3O3 — CID 20885229

IUPACN-(3,4-dimethoxyphenyl)-2-indazol-1-ylacetamide
SMILESCOc1ccc(NC(=O)Cn2ncc3ccccc32)cc1OC
InChIInChI=1S/C17H17N3O3/c1-22-15-8-7-13(9-16(15)23-2)19-17(21)11-20-14-6-4-3-5-12(14)10-18-20/h3-10H,11H2,1-2H3,(H,19,21)
InChIKeyRXGFACJLJIHOHY-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.69
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)-2-indazol-1-ylacetamide

N-(3,4-dimethoxyphenyl)-2-indazol-1-ylacetamide (PubChem CID 20885229) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-indazol-1-ylacetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-indazol-1-ylacetamide
PubChem CID20885229
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN-(3,4-dimethoxyphenyl)-2-indazol-1-ylacetamide
SMILESCOc1ccc(NC(=O)Cn2ncc3ccccc32)cc1OC
InChIInChI=1S/C17H17N3O3/c1-22-15-8-7-13(9-16(15)23-2)19-17(21)11-20-14-6-4-3-5-12(14)10-18-20/h3-10H,11H2,1-2H3,(H,19,21)
InChIKeyRXGFACJLJIHOHY-UHFFFAOYSA-N
XLogP2.69
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-indazol-1-ylacetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-indazol-1-ylacetamide (CID 20885229) is N-(3,4-dimethoxyphenyl)-2-indazol-1-ylacetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-indazol-1-ylacetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-indazol-1-ylacetamide is COc1ccc(NC(=O)Cn2ncc3ccccc32)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-indazol-1-ylacetamide?
The InChIKey is RXGFACJLJIHOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-22-15-8-7-13(9-16(15)23-2)19-17(21)11-20-14-6-4-3-5-12(14)10-18-20/h3-10H,11H2,1-2H3,(H,19,21).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-indazol-1-ylacetamide?
N-(3,4-dimethoxyphenyl)-2-indazol-1-ylacetamide has a molecular weight of 311.34 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-indazol-1-ylacetamide is sourced from PubChem (CID 20885229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).