2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(3,4-dimethoxyphenyl)acetamide

C17H18N6O3 — CID 656361

IUPAC2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2nnc(-c3ccccc3N)n2)cc1OC
InChIInChI=1S/C17H18N6O3/c1-25-14-8-7-11(9-15(14)26-2)19-16(24)10-23-21-17(20-22-23)12-5-3-4-6-13(12)18/h3-9H,10,18H2,1-2H3,(H,19,24)
InChIKeyIKPQFWBHCRNTQB-UHFFFAOYSA-N
MW354.37 g/mol
LogP1.58
Rot. Bonds6

About 2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(3,4-dimethoxyphenyl)acetamide

2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(3,4-dimethoxyphenyl)acetamide (PubChem CID 656361) has the molecular formula C17H18N6O3 and a molecular weight of 354.37 g/mol. Its IUPAC name is 2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(3,4-dimethoxyphenyl)acetamide
PubChem CID656361
Molecular FormulaC17H18N6O3
Molecular Weight354.37 g/mol
Exact Mass354.14
IUPAC Name2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2nnc(-c3ccccc3N)n2)cc1OC
InChIInChI=1S/C17H18N6O3/c1-25-14-8-7-11(9-15(14)26-2)19-16(24)10-23-21-17(20-22-23)12-5-3-4-6-13(12)18/h3-9H,10,18H2,1-2H3,(H,19,24)
InChIKeyIKPQFWBHCRNTQB-UHFFFAOYSA-N
XLogP1.58
TPSA117.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(3,4-dimethoxyphenyl)acetamide 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-[5-(2-aminophenyl)tetrazol-2-yl]-N-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(3,4-dimethoxyphenyl)acetamide (CID 656361) is 2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(3,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)Cn2nnc(-c3ccccc3N)n2)cc1OC.
What is the InChIKey of 2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is IKPQFWBHCRNTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O3/c1-25-14-8-7-11(9-15(14)26-2)19-16(24)10-23-21-17(20-22-23)12-5-3-4-6-13(12)18/h3-9H,10,18H2,1-2H3,(H,19,24).
What are the key properties of 2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(3,4-dimethoxyphenyl)acetamide?
2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 354.37 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 656361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).