N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2H-indazol-3-yl)acetamide

C15H21N3O2 — CID 111596489

IUPACN-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2H-indazol-3-yl)acetamide
SMILESCCN(CC(C)(C)O)C(=O)Cc1[nH]nc2ccccc12
InChIInChI=1S/C15H21N3O2/c1-4-18(10-15(2,3)20)14(19)9-13-11-7-5-6-8-12(11)16-17-13/h5-8,20H,4,9-10H2,1-3H3,(H,16,17)
InChIKeyUETQXAFIVWWTBW-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.72
Rot. Bonds5

About N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2H-indazol-3-yl)acetamide

N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2H-indazol-3-yl)acetamide (PubChem CID 111596489) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2H-indazol-3-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2H-indazol-3-yl)acetamide
PubChem CID111596489
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2H-indazol-3-yl)acetamide
SMILESCCN(CC(C)(C)O)C(=O)Cc1[nH]nc2ccccc12
InChIInChI=1S/C15H21N3O2/c1-4-18(10-15(2,3)20)14(19)9-13-11-7-5-6-8-12(11)16-17-13/h5-8,20H,4,9-10H2,1-3H3,(H,16,17)
InChIKeyUETQXAFIVWWTBW-UHFFFAOYSA-N
XLogP1.72
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2H-indazol-3-yl)acetamide?
The IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2H-indazol-3-yl)acetamide (CID 111596489) is N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2H-indazol-3-yl)acetamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2H-indazol-3-yl)acetamide?
The canonical SMILES for N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2H-indazol-3-yl)acetamide is CCN(CC(C)(C)O)C(=O)Cc1[nH]nc2ccccc12.
What is the InChIKey of N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2H-indazol-3-yl)acetamide?
The InChIKey is UETQXAFIVWWTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-18(10-15(2,3)20)14(19)9-13-11-7-5-6-8-12(11)16-17-13/h5-8,20H,4,9-10H2,1-3H3,(H,16,17).
What are the key properties of N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2H-indazol-3-yl)acetamide?
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2H-indazol-3-yl)acetamide has a molecular weight of 275.35 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2H-indazol-3-yl)acetamide is sourced from PubChem (CID 111596489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).