2-(1H-indol-3-yl)-2-oxo-N-(2-phenylethyl)acetamide

C18H16N2O2 — CID 2176767

IUPAC2-(1H-indol-3-yl)-2-oxo-N-(2-phenylethyl)acetamide
SMILESO=C(NCCc1ccccc1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C18H16N2O2/c21-17(15-12-20-16-9-5-4-8-14(15)16)18(22)19-11-10-13-6-2-1-3-7-13/h1-9,12,20H,10-11H2,(H,19,22)
InChIKeyUSGVPHMVQJFJJD-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.71
Rot. Bonds5

About 2-(1H-indol-3-yl)-2-oxo-N-(2-phenylethyl)acetamide

2-(1H-indol-3-yl)-2-oxo-N-(2-phenylethyl)acetamide (PubChem CID 2176767) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-2-oxo-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-2-oxo-N-(2-phenylethyl)acetamide
PubChem CID2176767
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name2-(1H-indol-3-yl)-2-oxo-N-(2-phenylethyl)acetamide
SMILESO=C(NCCc1ccccc1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C18H16N2O2/c21-17(15-12-20-16-9-5-4-8-14(15)16)18(22)19-11-10-13-6-2-1-3-7-13/h1-9,12,20H,10-11H2,(H,19,22)
InChIKeyUSGVPHMVQJFJJD-UHFFFAOYSA-N
XLogP2.71
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-2-oxo-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-2-oxo-N-(2-phenylethyl)acetamide (CID 2176767) is 2-(1H-indol-3-yl)-2-oxo-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-2-oxo-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-2-oxo-N-(2-phenylethyl)acetamide is O=C(NCCc1ccccc1)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-yl)-2-oxo-N-(2-phenylethyl)acetamide?
The InChIKey is USGVPHMVQJFJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c21-17(15-12-20-16-9-5-4-8-14(15)16)18(22)19-11-10-13-6-2-1-3-7-13/h1-9,12,20H,10-11H2,(H,19,22).
What are the key properties of 2-(1H-indol-3-yl)-2-oxo-N-(2-phenylethyl)acetamide?
2-(1H-indol-3-yl)-2-oxo-N-(2-phenylethyl)acetamide has a molecular weight of 292.34 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-2-oxo-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 2176767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).