[2-(1H-indol-3-yl)-2-oxoethyl] (2S)-2-benzamidopropanoate

C20H18N2O4 — CID 2593765

IUPAC[2-(1H-indol-3-yl)-2-oxoethyl] (2S)-2-benzamidopropanoate
SMILESC[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C20H18N2O4/c1-13(22-19(24)14-7-3-2-4-8-14)20(25)26-12-18(23)16-11-21-17-10-6-5-9-15(16)17/h2-11,13,21H,12H2,1H3,(H,22,24)/t13-/m0/s1
InChIKeyXNHYSRPPKPQHBO-ZDUSSCGKSA-N
MW350.37 g/mol
LogP2.71
Rot. Bonds6

About [2-(1H-indol-3-yl)-2-oxoethyl] (2S)-2-benzamidopropanoate

[2-(1H-indol-3-yl)-2-oxoethyl] (2S)-2-benzamidopropanoate (PubChem CID 2593765) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is [2-(1H-indol-3-yl)-2-oxoethyl] (2S)-2-benzamidopropanoate.

Molecular Properties

Compound Name[2-(1H-indol-3-yl)-2-oxoethyl] (2S)-2-benzamidopropanoate
PubChem CID2593765
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name[2-(1H-indol-3-yl)-2-oxoethyl] (2S)-2-benzamidopropanoate
SMILESC[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C20H18N2O4/c1-13(22-19(24)14-7-3-2-4-8-14)20(25)26-12-18(23)16-11-21-17-10-6-5-9-15(16)17/h2-11,13,21H,12H2,1H3,(H,22,24)/t13-/m0/s1
InChIKeyXNHYSRPPKPQHBO-ZDUSSCGKSA-N
XLogP2.71
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(1H-indol-3-yl)-2-oxoethyl] (2S)-2-benzamidopropanoate?
The IUPAC name of [2-(1H-indol-3-yl)-2-oxoethyl] (2S)-2-benzamidopropanoate (CID 2593765) is [2-(1H-indol-3-yl)-2-oxoethyl] (2S)-2-benzamidopropanoate.
What is the SMILES notation for [2-(1H-indol-3-yl)-2-oxoethyl] (2S)-2-benzamidopropanoate?
The canonical SMILES for [2-(1H-indol-3-yl)-2-oxoethyl] (2S)-2-benzamidopropanoate is C[C@H](NC(=O)c1ccccc1)C(=O)OCC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of [2-(1H-indol-3-yl)-2-oxoethyl] (2S)-2-benzamidopropanoate?
The InChIKey is XNHYSRPPKPQHBO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-13(22-19(24)14-7-3-2-4-8-14)20(25)26-12-18(23)16-11-21-17-10-6-5-9-15(16)17/h2-11,13,21H,12H2,1H3,(H,22,24)/t13-/m0/s1.
What are the key properties of [2-(1H-indol-3-yl)-2-oxoethyl] (2S)-2-benzamidopropanoate?
[2-(1H-indol-3-yl)-2-oxoethyl] (2S)-2-benzamidopropanoate has a molecular weight of 350.37 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-indol-3-yl)-2-oxoethyl] (2S)-2-benzamidopropanoate is sourced from PubChem (CID 2593765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).