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

C20H22N2O3 — CID 973997

IUPAC2-[3-(2,2-dimethylpropanoyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCC(C)(C)C(=O)c1cn(CC(=O)NCc2ccco2)c2ccccc12
InChIInChI=1S/C20H22N2O3/c1-20(2,3)19(24)16-12-22(17-9-5-4-8-15(16)17)13-18(23)21-11-14-7-6-10-25-14/h4-10,12H,11,13H2,1-3H3,(H,21,23)
InChIKeyRVUYFYNIENPZIO-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.78
Rot. Bonds5

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

2-[3-(2,2-dimethylpropanoyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 973997) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-[3-(2,2-dimethylpropanoyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[3-(2,2-dimethylpropanoyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID973997
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name2-[3-(2,2-dimethylpropanoyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCC(C)(C)C(=O)c1cn(CC(=O)NCc2ccco2)c2ccccc12
InChIInChI=1S/C20H22N2O3/c1-20(2,3)19(24)16-12-22(17-9-5-4-8-15(16)17)13-18(23)21-11-14-7-6-10-25-14/h4-10,12H,11,13H2,1-3H3,(H,21,23)
InChIKeyRVUYFYNIENPZIO-UHFFFAOYSA-N
XLogP3.78
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,2-dimethylpropanoyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[3-(2,2-dimethylpropanoyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide (CID 973997) is 2-[3-(2,2-dimethylpropanoyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[3-(2,2-dimethylpropanoyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[3-(2,2-dimethylpropanoyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide is CC(C)(C)C(=O)c1cn(CC(=O)NCc2ccco2)c2ccccc12.
What is the InChIKey of 2-[3-(2,2-dimethylpropanoyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is RVUYFYNIENPZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-20(2,3)19(24)16-12-22(17-9-5-4-8-15(16)17)13-18(23)21-11-14-7-6-10-25-14/h4-10,12H,11,13H2,1-3H3,(H,21,23).
What are the key properties of 2-[3-(2,2-dimethylpropanoyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide?
2-[3-(2,2-dimethylpropanoyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 338.41 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,2-dimethylpropanoyl)indol-1-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 973997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).