[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-(4-methylphenoxy)propanoate

C21H21NO4 — CID 9139492

IUPAC[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-(4-methylphenoxy)propanoate
SMILESCc1ccc(OCCC(=O)O[C@H](C)C(=O)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C21H21NO4/c1-14-7-9-16(10-8-14)25-12-11-20(23)26-15(2)21(24)18-13-22-19-6-4-3-5-17(18)19/h3-10,13,15,22H,11-12H2,1-2H3/t15-/m1/s1
InChIKeyORYAVEIPGDSTFY-OAHLLOKOSA-N
MW351.40 g/mol
LogP4.06
Rot. Bonds7

About [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-(4-methylphenoxy)propanoate

[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-(4-methylphenoxy)propanoate (PubChem CID 9139492) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-(4-methylphenoxy)propanoate.

Molecular Properties

Compound Name[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-(4-methylphenoxy)propanoate
PubChem CID9139492
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC Name[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-(4-methylphenoxy)propanoate
SMILESCc1ccc(OCCC(=O)O[C@H](C)C(=O)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C21H21NO4/c1-14-7-9-16(10-8-14)25-12-11-20(23)26-15(2)21(24)18-13-22-19-6-4-3-5-17(18)19/h3-10,13,15,22H,11-12H2,1-2H3/t15-/m1/s1
InChIKeyORYAVEIPGDSTFY-OAHLLOKOSA-N
XLogP4.06
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-(4-methylphenoxy)propanoate with MolForge

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Related Compounds

[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 4-(2,5-dimethylphenyl)-4-oxobutanoate
CID 7212497
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2,4-dimethylphenoxy)acetate
CID 7814284
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-methylphenoxy)acetate
CID 42984043
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-chloro-5-methylphenoxy)acetate
CID 7570362
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(4-fluorophenyl)acetate
CID 8612958
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-methylphenyl)sulfanylacetate
CID 7555308
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 4-oxo-4-(propylamino)butanoate
CID 95316821
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-fluorophenyl)acetate
CID 8661248
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(3-fluorophenoxy)acetate
CID 8914367
[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 3-(2-methylphenoxy)propanoate
CID 18205599
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 8525138
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-(3,4-difluorophenyl)sulfanylpropanoate
CID 8822588

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-(4-methylphenoxy)propanoate?
The IUPAC name of [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-(4-methylphenoxy)propanoate (CID 9139492) is [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-(4-methylphenoxy)propanoate.
What is the SMILES notation for [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-(4-methylphenoxy)propanoate?
The canonical SMILES for [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-(4-methylphenoxy)propanoate is Cc1ccc(OCCC(=O)O[C@H](C)C(=O)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-(4-methylphenoxy)propanoate?
The InChIKey is ORYAVEIPGDSTFY-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H21NO4/c1-14-7-9-16(10-8-14)25-12-11-20(23)26-15(2)21(24)18-13-22-19-6-4-3-5-17(18)19/h3-10,13,15,22H,11-12H2,1-2H3/t15-/m1/s1.
What are the key properties of [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-(4-methylphenoxy)propanoate?
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-(4-methylphenoxy)propanoate has a molecular weight of 351.40 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-(4-methylphenoxy)propanoate is sourced from PubChem (CID 9139492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).