[(2S)-1-oxo-1-phenylpropan-2-yl] 2-(1H-indol-3-yl)acetate

C19H17NO3 — CID 40616153

IUPAC[(2S)-1-oxo-1-phenylpropan-2-yl] 2-(1H-indol-3-yl)acetate
SMILESC[C@H](OC(=O)Cc1c[nH]c2ccccc12)C(=O)c1ccccc1
InChIInChI=1S/C19H17NO3/c1-13(19(22)14-7-3-2-4-8-14)23-18(21)11-15-12-20-17-10-6-5-9-16(15)17/h2-10,12-13,20H,11H2,1H3/t13-/m0/s1
InChIKeyGEBFEINNCBJSQZ-ZDUSSCGKSA-N
MW307.35 g/mol
LogP3.53
Rot. Bonds5

About [(2S)-1-oxo-1-phenylpropan-2-yl] 2-(1H-indol-3-yl)acetate

[(2S)-1-oxo-1-phenylpropan-2-yl] 2-(1H-indol-3-yl)acetate (PubChem CID 40616153) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is [(2S)-1-oxo-1-phenylpropan-2-yl] 2-(1H-indol-3-yl)acetate.

Molecular Properties

Compound Name[(2S)-1-oxo-1-phenylpropan-2-yl] 2-(1H-indol-3-yl)acetate
PubChem CID40616153
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name[(2S)-1-oxo-1-phenylpropan-2-yl] 2-(1H-indol-3-yl)acetate
SMILESC[C@H](OC(=O)Cc1c[nH]c2ccccc12)C(=O)c1ccccc1
InChIInChI=1S/C19H17NO3/c1-13(19(22)14-7-3-2-4-8-14)23-18(21)11-15-12-20-17-10-6-5-9-16(15)17/h2-10,12-13,20H,11H2,1H3/t13-/m0/s1
InChIKeyGEBFEINNCBJSQZ-ZDUSSCGKSA-N
XLogP3.53
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate
CID 27911555
[(2R)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate
CID 7960199
[(1S)-1-(4-fluorophenyl)ethyl] 2-(1H-indol-3-yl)acetate
CID 7663759
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate
CID 7259091
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-fluorophenyl)acetate
CID 8661248
[(2S)-1-(4-bromoanilino)-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate
CID 7664829
[(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-(1H-indol-3-yl)acetate
CID 7960222
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(4-fluorophenyl)acetate
CID 8612958
2,3,4-tris[[2-(1H-indol-3-yl)acetyl]oxy]butyl 2-(1H-indol-3-yl)acetate
CID 146458063
[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 2-(1H-indol-3-yl)acetate
CID 7960233
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 3-(1H-indol-3-yl)propanoate
CID 8942689
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] benzoate
CID 42984005

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-1-phenylpropan-2-yl] 2-(1H-indol-3-yl)acetate?
The IUPAC name of [(2S)-1-oxo-1-phenylpropan-2-yl] 2-(1H-indol-3-yl)acetate (CID 40616153) is [(2S)-1-oxo-1-phenylpropan-2-yl] 2-(1H-indol-3-yl)acetate.
What is the SMILES notation for [(2S)-1-oxo-1-phenylpropan-2-yl] 2-(1H-indol-3-yl)acetate?
The canonical SMILES for [(2S)-1-oxo-1-phenylpropan-2-yl] 2-(1H-indol-3-yl)acetate is C[C@H](OC(=O)Cc1c[nH]c2ccccc12)C(=O)c1ccccc1.
What is the InChIKey of [(2S)-1-oxo-1-phenylpropan-2-yl] 2-(1H-indol-3-yl)acetate?
The InChIKey is GEBFEINNCBJSQZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H17NO3/c1-13(19(22)14-7-3-2-4-8-14)23-18(21)11-15-12-20-17-10-6-5-9-16(15)17/h2-10,12-13,20H,11H2,1H3/t13-/m0/s1.
What are the key properties of [(2S)-1-oxo-1-phenylpropan-2-yl] 2-(1H-indol-3-yl)acetate?
[(2S)-1-oxo-1-phenylpropan-2-yl] 2-(1H-indol-3-yl)acetate has a molecular weight of 307.35 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-oxo-1-phenylpropan-2-yl] 2-(1H-indol-3-yl)acetate is sourced from PubChem (CID 40616153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).