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

C19H16N2O4 — CID 4802615

IUPAC[2-(1H-indol-3-yl)-2-oxoethyl] 2-benzamidoacetate
SMILESO=C(CNC(=O)c1ccccc1)OCC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C19H16N2O4/c22-17(15-10-20-16-9-5-4-8-14(15)16)12-25-18(23)11-21-19(24)13-6-2-1-3-7-13/h1-10,20H,11-12H2,(H,21,24)
InChIKeyTUPWVILEDVLKNA-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.32
Rot. Bonds6

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

[2-(1H-indol-3-yl)-2-oxoethyl] 2-benzamidoacetate (PubChem CID 4802615) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is [2-(1H-indol-3-yl)-2-oxoethyl] 2-benzamidoacetate.

Molecular Properties

Compound Name[2-(1H-indol-3-yl)-2-oxoethyl] 2-benzamidoacetate
PubChem CID4802615
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name[2-(1H-indol-3-yl)-2-oxoethyl] 2-benzamidoacetate
SMILESO=C(CNC(=O)c1ccccc1)OCC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C19H16N2O4/c22-17(15-10-20-16-9-5-4-8-14(15)16)12-25-18(23)11-21-19(24)13-6-2-1-3-7-13/h1-10,20H,11-12H2,(H,21,24)
InChIKeyTUPWVILEDVLKNA-UHFFFAOYSA-N
XLogP2.32
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.32
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] 2-benzamidoacetate?
The IUPAC name of [2-(1H-indol-3-yl)-2-oxoethyl] 2-benzamidoacetate (CID 4802615) is [2-(1H-indol-3-yl)-2-oxoethyl] 2-benzamidoacetate.
What is the SMILES notation for [2-(1H-indol-3-yl)-2-oxoethyl] 2-benzamidoacetate?
The canonical SMILES for [2-(1H-indol-3-yl)-2-oxoethyl] 2-benzamidoacetate is O=C(CNC(=O)c1ccccc1)OCC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of [2-(1H-indol-3-yl)-2-oxoethyl] 2-benzamidoacetate?
The InChIKey is TUPWVILEDVLKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c22-17(15-10-20-16-9-5-4-8-14(15)16)12-25-18(23)11-21-19(24)13-6-2-1-3-7-13/h1-10,20H,11-12H2,(H,21,24).
What are the key properties of [2-(1H-indol-3-yl)-2-oxoethyl] 2-benzamidoacetate?
[2-(1H-indol-3-yl)-2-oxoethyl] 2-benzamidoacetate has a molecular weight of 336.35 g/mol, XLogP of 2.32, 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] 2-benzamidoacetate is sourced from PubChem (CID 4802615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).