[(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-(1H-indol-3-yl)acetate

C22H24N2O3 — CID 7960222

IUPAC[(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-(1H-indol-3-yl)acetate
SMILESCC(C)c1ccc(NC(=O)[C@H](C)OC(=O)Cc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C22H24N2O3/c1-14(2)16-8-10-18(11-9-16)24-22(26)15(3)27-21(25)12-17-13-23-20-7-5-4-6-19(17)20/h4-11,13-15,23H,12H2,1-3H3,(H,24,26)/t15-/m0/s1
InChIKeyJHWAWRRAQHRPNQ-HNNXBMFYSA-N
MW364.45 g/mol
LogP4.40
Rot. Bonds6

About [(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-(1H-indol-3-yl)acetate

[(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-(1H-indol-3-yl)acetate (PubChem CID 7960222) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is [(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-(1H-indol-3-yl)acetate.

Molecular Properties

Compound Name[(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-(1H-indol-3-yl)acetate
PubChem CID7960222
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name[(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-(1H-indol-3-yl)acetate
SMILESCC(C)c1ccc(NC(=O)[C@H](C)OC(=O)Cc2c[nH]c3ccccc23)cc1
InChIInChI=1S/C22H24N2O3/c1-14(2)16-8-10-18(11-9-16)24-22(26)15(3)27-21(25)12-17-13-23-20-7-5-4-6-19(17)20/h4-11,13-15,23H,12H2,1-3H3,(H,24,26)/t15-/m0/s1
InChIKeyJHWAWRRAQHRPNQ-HNNXBMFYSA-N
XLogP4.40
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-(1H-indol-3-yl)acetate with MolForge

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Related Compounds

[(2S)-1-(4-bromoanilino)-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate
CID 7664829
[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 2-(1H-indol-3-yl)acetate
CID 7960233
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(1H-indol-3-yl)acetate
CID 4802171
[1-(4-methylanilino)-1-oxopropan-2-yl] 4-(1H-indol-3-yl)butanoate
CID 18271241
[1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate
CID 42900597
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate
CID 7259091
2-(4-aminophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 143794395
[1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate
CID 47011526
[(2S)-1-oxo-1-phenylpropan-2-yl] 2-(1H-indol-3-yl)acetate
CID 40616153
[(1S)-1-(4-fluorophenyl)ethyl] 2-(1H-indol-3-yl)acetate
CID 7663759
[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] propanoate
CID 7851287
[(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate
CID 7960224

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-(1H-indol-3-yl)acetate?
The IUPAC name of [(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-(1H-indol-3-yl)acetate (CID 7960222) is [(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-(1H-indol-3-yl)acetate.
What is the SMILES notation for [(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-(1H-indol-3-yl)acetate?
The canonical SMILES for [(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-(1H-indol-3-yl)acetate is CC(C)c1ccc(NC(=O)[C@H](C)OC(=O)Cc2c[nH]c3ccccc23)cc1.
What is the InChIKey of [(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-(1H-indol-3-yl)acetate?
The InChIKey is JHWAWRRAQHRPNQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-14(2)16-8-10-18(11-9-16)24-22(26)15(3)27-21(25)12-17-13-23-20-7-5-4-6-19(17)20/h4-11,13-15,23H,12H2,1-3H3,(H,24,26)/t15-/m0/s1.
What are the key properties of [(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-(1H-indol-3-yl)acetate?
[(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-(1H-indol-3-yl)acetate has a molecular weight of 364.45 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-(1H-indol-3-yl)acetate is sourced from PubChem (CID 7960222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).