2-(3-acetylindol-1-yl)-N-(furan-2-ylmethyl)acetamide

C17H16N2O3 — CID 951645

IUPAC2-(3-acetylindol-1-yl)-N-(furan-2-ylmethyl)acetamide
SMILESCC(=O)c1cn(CC(=O)NCc2ccco2)c2ccccc12
InChIInChI=1S/C17H16N2O3/c1-12(20)15-10-19(16-7-3-2-6-14(15)16)11-17(21)18-9-13-5-4-8-22-13/h2-8,10H,9,11H2,1H3,(H,18,21)
InChIKeyIAZNIMWHYVUHDX-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.75
Rot. Bonds5

About 2-(3-acetylindol-1-yl)-N-(furan-2-ylmethyl)acetamide

2-(3-acetylindol-1-yl)-N-(furan-2-ylmethyl)acetamide (PubChem CID 951645) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-(3-acetylindol-1-yl)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-acetylindol-1-yl)-N-(furan-2-ylmethyl)acetamide
PubChem CID951645
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name2-(3-acetylindol-1-yl)-N-(furan-2-ylmethyl)acetamide
SMILESCC(=O)c1cn(CC(=O)NCc2ccco2)c2ccccc12
InChIInChI=1S/C17H16N2O3/c1-12(20)15-10-19(16-7-3-2-6-14(15)16)11-17(21)18-9-13-5-4-8-22-13/h2-8,10H,9,11H2,1H3,(H,18,21)
InChIKeyIAZNIMWHYVUHDX-UHFFFAOYSA-N
XLogP2.75
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylindol-1-yl)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(3-acetylindol-1-yl)-N-(furan-2-ylmethyl)acetamide (CID 951645) is 2-(3-acetylindol-1-yl)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-acetylindol-1-yl)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3-acetylindol-1-yl)-N-(furan-2-ylmethyl)acetamide is CC(=O)c1cn(CC(=O)NCc2ccco2)c2ccccc12.
What is the InChIKey of 2-(3-acetylindol-1-yl)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is IAZNIMWHYVUHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-12(20)15-10-19(16-7-3-2-6-14(15)16)11-17(21)18-9-13-5-4-8-22-13/h2-8,10H,9,11H2,1H3,(H,18,21).
What are the key properties of 2-(3-acetylindol-1-yl)-N-(furan-2-ylmethyl)acetamide?
2-(3-acetylindol-1-yl)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 296.33 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylindol-1-yl)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 951645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).