2-[3-(furan-2-carbonyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide

C20H16N2O4 — CID 955158

IUPAC2-[3-(furan-2-carbonyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(Cn1cc(C(=O)c2ccco2)c2ccccc21)NCc1ccco1
InChIInChI=1S/C20H16N2O4/c23-19(21-11-14-5-3-9-25-14)13-22-12-16(15-6-1-2-7-17(15)22)20(24)18-8-4-10-26-18/h1-10,12H,11,13H2,(H,21,23)
InChIKeyALTOEOHLEBXTIZ-UHFFFAOYSA-N
MW348.36 g/mol
LogP3.37
Rot. Bonds6

About 2-[3-(furan-2-carbonyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide

2-[3-(furan-2-carbonyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 955158) has the molecular formula C20H16N2O4 and a molecular weight of 348.36 g/mol. Its IUPAC name is 2-[3-(furan-2-carbonyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[3-(furan-2-carbonyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID955158
Molecular FormulaC20H16N2O4
Molecular Weight348.36 g/mol
Exact Mass348.11
IUPAC Name2-[3-(furan-2-carbonyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(Cn1cc(C(=O)c2ccco2)c2ccccc21)NCc1ccco1
InChIInChI=1S/C20H16N2O4/c23-19(21-11-14-5-3-9-25-14)13-22-12-16(15-6-1-2-7-17(15)22)20(24)18-8-4-10-26-18/h1-10,12H,11,13H2,(H,21,23)
InChIKeyALTOEOHLEBXTIZ-UHFFFAOYSA-N
XLogP3.37
TPSA77.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-carbonyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[3-(furan-2-carbonyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide (CID 955158) is 2-[3-(furan-2-carbonyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[3-(furan-2-carbonyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[3-(furan-2-carbonyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide is O=C(Cn1cc(C(=O)c2ccco2)c2ccccc21)NCc1ccco1.
What is the InChIKey of 2-[3-(furan-2-carbonyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is ALTOEOHLEBXTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4/c23-19(21-11-14-5-3-9-25-14)13-22-12-16(15-6-1-2-7-17(15)22)20(24)18-8-4-10-26-18/h1-10,12H,11,13H2,(H,21,23).
What are the key properties of 2-[3-(furan-2-carbonyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide?
2-[3-(furan-2-carbonyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 348.36 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(furan-2-carbonyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 955158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).