(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(2-propan-2-ylphenoxy)propan-1-one

C21H25NO2 — CID 92685321

About (2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(2-propan-2-ylphenoxy)propan-1-one

(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(2-propan-2-ylphenoxy)propan-1-one (PubChem CID 92685321) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is (2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(2-propan-2-ylphenoxy)propan-1-one.

Molecular Properties

• Compound Name: (2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(2-propan-2-ylphenoxy)propan-1-one
• PubChem CID: 92685321
• Molecular Formula: C21H25NO2
• Molecular Weight: 323.44 g/mol
• Exact Mass: 323.19
• IUPAC Name: (2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(2-propan-2-ylphenoxy)propan-1-one
• SMILES: CC(C)c1ccccc1O[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C
• InChI: InChI=1S/C21H25NO2/c1-14(2)18-10-6-8-12-20(18)24-16(4)21(23)22-15(3)13-17-9-5-7-11-19(17)22/h5-12,14-16H,13H2,1-4H3/t15-,16+/m1/s1
• InChIKey: GLIJDLHUBRYZRW-CVEARBPZSA-N
• XLogP: 4.56
• TPSA: 29.54 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	323.44
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(2-propan-2-ylphenoxy)propan-1-one?

The IUPAC name of (2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(2-propan-2-ylphenoxy)propan-1-one (CID 92685321) is (2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(2-propan-2-ylphenoxy)propan-1-one.

What is the SMILES notation for (2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(2-propan-2-ylphenoxy)propan-1-one?

The canonical SMILES for (2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(2-propan-2-ylphenoxy)propan-1-one is CC(C)c1ccccc1O[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C.

What is the InChIKey of (2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(2-propan-2-ylphenoxy)propan-1-one?

The InChIKey is GLIJDLHUBRYZRW-CVEARBPZSA-N. The full InChI is InChI=1S/C21H25NO2/c1-14(2)18-10-6-8-12-20(18)24-16(4)21(23)22-15(3)13-17-9-5-7-11-19(17)22/h5-12,14-16H,13H2,1-4H3/t15-,16+/m1/s1.

What are the key properties of (2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(2-propan-2-ylphenoxy)propan-1-one?

(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(2-propan-2-ylphenoxy)propan-1-one has a molecular weight of 323.44 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(2-propan-2-ylphenoxy)propan-1-one is sourced from PubChem (CID 92685321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).