2-(tert-butylamino)-N-(1H-indazol-5-yl)-N-(2-methylphenyl)acetamide

C20H24N4O — CID 169006625

IUPAC2-(tert-butylamino)-N-(1H-indazol-5-yl)-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1N(C(=O)CNC(C)(C)C)c1ccc2[nH]ncc2c1
InChIInChI=1S/C20H24N4O/c1-14-7-5-6-8-18(14)24(19(25)13-21-20(2,3)4)16-9-10-17-15(11-16)12-22-23-17/h5-12,21H,13H2,1-4H3,(H,22,23)
InChIKeyIJBIOROHJFCISO-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.92
Rot. Bonds4

About 2-(tert-butylamino)-N-(1H-indazol-5-yl)-N-(2-methylphenyl)acetamide

2-(tert-butylamino)-N-(1H-indazol-5-yl)-N-(2-methylphenyl)acetamide (PubChem CID 169006625) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-(1H-indazol-5-yl)-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(tert-butylamino)-N-(1H-indazol-5-yl)-N-(2-methylphenyl)acetamide
PubChem CID169006625
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name2-(tert-butylamino)-N-(1H-indazol-5-yl)-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1N(C(=O)CNC(C)(C)C)c1ccc2[nH]ncc2c1
InChIInChI=1S/C20H24N4O/c1-14-7-5-6-8-18(14)24(19(25)13-21-20(2,3)4)16-9-10-17-15(11-16)12-22-23-17/h5-12,21H,13H2,1-4H3,(H,22,23)
InChIKeyIJBIOROHJFCISO-UHFFFAOYSA-N
XLogP3.92
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(tert-butylamino)-N-(1H-indazol-5-yl)-N-(2-methylphenyl)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-(tert-butylamino)-N-(1H-indazol-5-yl)-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-(tert-butylamino)-N-(1H-indazol-5-yl)-N-(2-methylphenyl)acetamide (CID 169006625) is 2-(tert-butylamino)-N-(1H-indazol-5-yl)-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-(tert-butylamino)-N-(1H-indazol-5-yl)-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-(tert-butylamino)-N-(1H-indazol-5-yl)-N-(2-methylphenyl)acetamide is Cc1ccccc1N(C(=O)CNC(C)(C)C)c1ccc2[nH]ncc2c1.
What is the InChIKey of 2-(tert-butylamino)-N-(1H-indazol-5-yl)-N-(2-methylphenyl)acetamide?
The InChIKey is IJBIOROHJFCISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-14-7-5-6-8-18(14)24(19(25)13-21-20(2,3)4)16-9-10-17-15(11-16)12-22-23-17/h5-12,21H,13H2,1-4H3,(H,22,23).
What are the key properties of 2-(tert-butylamino)-N-(1H-indazol-5-yl)-N-(2-methylphenyl)acetamide?
2-(tert-butylamino)-N-(1H-indazol-5-yl)-N-(2-methylphenyl)acetamide has a molecular weight of 336.44 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-N-(1H-indazol-5-yl)-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 169006625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).