2-(2H-indazol-3-yl)-N-(oxolan-3-yl)-N-(2-phenylethyl)acetamide

C21H23N3O2 — CID 71923006

IUPAC2-(2H-indazol-3-yl)-N-(oxolan-3-yl)-N-(2-phenylethyl)acetamide
SMILESO=C(Cc1[nH]nc2ccccc12)N(CCc1ccccc1)C1CCOC1
InChIInChI=1S/C21H23N3O2/c25-21(14-20-18-8-4-5-9-19(18)22-23-20)24(17-11-13-26-15-17)12-10-16-6-2-1-3-7-16/h1-9,17H,10-15H2,(H,22,23)
InChIKeyDRRZDWKJMXTGCT-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.97
Rot. Bonds6

About 2-(2H-indazol-3-yl)-N-(oxolan-3-yl)-N-(2-phenylethyl)acetamide

2-(2H-indazol-3-yl)-N-(oxolan-3-yl)-N-(2-phenylethyl)acetamide (PubChem CID 71923006) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-(2H-indazol-3-yl)-N-(oxolan-3-yl)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(2H-indazol-3-yl)-N-(oxolan-3-yl)-N-(2-phenylethyl)acetamide
PubChem CID71923006
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-(2H-indazol-3-yl)-N-(oxolan-3-yl)-N-(2-phenylethyl)acetamide
SMILESO=C(Cc1[nH]nc2ccccc12)N(CCc1ccccc1)C1CCOC1
InChIInChI=1S/C21H23N3O2/c25-21(14-20-18-8-4-5-9-19(18)22-23-20)24(17-11-13-26-15-17)12-10-16-6-2-1-3-7-16/h1-9,17H,10-15H2,(H,22,23)
InChIKeyDRRZDWKJMXTGCT-UHFFFAOYSA-N
XLogP2.97
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2H-indazol-3-yl)-N-(oxolan-3-yl)-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(2H-indazol-3-yl)-N-(oxolan-3-yl)-N-(2-phenylethyl)acetamide (CID 71923006) is 2-(2H-indazol-3-yl)-N-(oxolan-3-yl)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(2H-indazol-3-yl)-N-(oxolan-3-yl)-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(2H-indazol-3-yl)-N-(oxolan-3-yl)-N-(2-phenylethyl)acetamide is O=C(Cc1[nH]nc2ccccc12)N(CCc1ccccc1)C1CCOC1.
What is the InChIKey of 2-(2H-indazol-3-yl)-N-(oxolan-3-yl)-N-(2-phenylethyl)acetamide?
The InChIKey is DRRZDWKJMXTGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c25-21(14-20-18-8-4-5-9-19(18)22-23-20)24(17-11-13-26-15-17)12-10-16-6-2-1-3-7-16/h1-9,17H,10-15H2,(H,22,23).
What are the key properties of 2-(2H-indazol-3-yl)-N-(oxolan-3-yl)-N-(2-phenylethyl)acetamide?
2-(2H-indazol-3-yl)-N-(oxolan-3-yl)-N-(2-phenylethyl)acetamide has a molecular weight of 349.43 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-indazol-3-yl)-N-(oxolan-3-yl)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 71923006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).