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

C18H16N2O3 — CID 2227674

IUPAC2-(1H-indol-3-yl)-2-oxo-N-(2-phenoxyethyl)acetamide
SMILESO=C(NCCOc1ccccc1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C18H16N2O3/c21-17(15-12-20-16-9-5-4-8-14(15)16)18(22)19-10-11-23-13-6-2-1-3-7-13/h1-9,12,20H,10-11H2,(H,19,22)
InChIKeyKASRRSAOIITHBO-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.55
Rot. Bonds6

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

2-(1H-indol-3-yl)-2-oxo-N-(2-phenoxyethyl)acetamide (PubChem CID 2227674) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-2-oxo-N-(2-phenoxyethyl)acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-2-oxo-N-(2-phenoxyethyl)acetamide
PubChem CID2227674
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name2-(1H-indol-3-yl)-2-oxo-N-(2-phenoxyethyl)acetamide
SMILESO=C(NCCOc1ccccc1)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C18H16N2O3/c21-17(15-12-20-16-9-5-4-8-14(15)16)18(22)19-10-11-23-13-6-2-1-3-7-13/h1-9,12,20H,10-11H2,(H,19,22)
InChIKeyKASRRSAOIITHBO-UHFFFAOYSA-N
XLogP2.55
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-phenoxyethyl)acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-2-oxo-N-(2-phenoxyethyl)acetamide (CID 2227674) is 2-(1H-indol-3-yl)-2-oxo-N-(2-phenoxyethyl)acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-2-oxo-N-(2-phenoxyethyl)acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-2-oxo-N-(2-phenoxyethyl)acetamide is O=C(NCCOc1ccccc1)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-yl)-2-oxo-N-(2-phenoxyethyl)acetamide?
The InChIKey is KASRRSAOIITHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c21-17(15-12-20-16-9-5-4-8-14(15)16)18(22)19-10-11-23-13-6-2-1-3-7-13/h1-9,12,20H,10-11H2,(H,19,22).
What are the key properties of 2-(1H-indol-3-yl)-2-oxo-N-(2-phenoxyethyl)acetamide?
2-(1H-indol-3-yl)-2-oxo-N-(2-phenoxyethyl)acetamide has a molecular weight of 308.34 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-2-oxo-N-(2-phenoxyethyl)acetamide is sourced from PubChem (CID 2227674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).