(1-oxo-1-phenylpropan-2-yl) 3-(1H-indol-3-yl)propanoate

C20H19NO3 — CID 3155699

IUPAC(1-oxo-1-phenylpropan-2-yl) 3-(1H-indol-3-yl)propanoate
SMILESCC(OC(=O)CCc1c[nH]c2ccccc12)C(=O)c1ccccc1
InChIInChI=1S/C20H19NO3/c1-14(20(23)15-7-3-2-4-8-15)24-19(22)12-11-16-13-21-18-10-6-5-9-17(16)18/h2-10,13-14,21H,11-12H2,1H3
InChIKeyZPUKJYHVXHPTQB-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.92
Rot. Bonds6

About (1-oxo-1-phenylpropan-2-yl) 3-(1H-indol-3-yl)propanoate

(1-oxo-1-phenylpropan-2-yl) 3-(1H-indol-3-yl)propanoate (PubChem CID 3155699) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is (1-oxo-1-phenylpropan-2-yl) 3-(1H-indol-3-yl)propanoate.

Molecular Properties

Compound Name(1-oxo-1-phenylpropan-2-yl) 3-(1H-indol-3-yl)propanoate
PubChem CID3155699
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name(1-oxo-1-phenylpropan-2-yl) 3-(1H-indol-3-yl)propanoate
SMILESCC(OC(=O)CCc1c[nH]c2ccccc12)C(=O)c1ccccc1
InChIInChI=1S/C20H19NO3/c1-14(20(23)15-7-3-2-4-8-15)24-19(22)12-11-16-13-21-18-10-6-5-9-17(16)18/h2-10,13-14,21H,11-12H2,1H3
InChIKeyZPUKJYHVXHPTQB-UHFFFAOYSA-N
XLogP3.92
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-oxo-1-phenylpropan-2-yl) 3-(1H-indol-3-yl)propanoate?
The IUPAC name of (1-oxo-1-phenylpropan-2-yl) 3-(1H-indol-3-yl)propanoate (CID 3155699) is (1-oxo-1-phenylpropan-2-yl) 3-(1H-indol-3-yl)propanoate.
What is the SMILES notation for (1-oxo-1-phenylpropan-2-yl) 3-(1H-indol-3-yl)propanoate?
The canonical SMILES for (1-oxo-1-phenylpropan-2-yl) 3-(1H-indol-3-yl)propanoate is CC(OC(=O)CCc1c[nH]c2ccccc12)C(=O)c1ccccc1.
What is the InChIKey of (1-oxo-1-phenylpropan-2-yl) 3-(1H-indol-3-yl)propanoate?
The InChIKey is ZPUKJYHVXHPTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-14(20(23)15-7-3-2-4-8-15)24-19(22)12-11-16-13-21-18-10-6-5-9-17(16)18/h2-10,13-14,21H,11-12H2,1H3.
What are the key properties of (1-oxo-1-phenylpropan-2-yl) 3-(1H-indol-3-yl)propanoate?
(1-oxo-1-phenylpropan-2-yl) 3-(1H-indol-3-yl)propanoate has a molecular weight of 321.38 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-oxo-1-phenylpropan-2-yl) 3-(1H-indol-3-yl)propanoate is sourced from PubChem (CID 3155699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).