2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2,4-dimethylphenyl)acetamide

C24H24N2O4 — CID 7178299

IUPAC2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2coc(CN3CCc4ccccc43)cc2=O)c(C)c1
InChIInChI=1S/C24H24N2O4/c1-16-7-8-20(17(2)11-16)25-24(28)15-30-23-14-29-19(12-22(23)27)13-26-10-9-18-5-3-4-6-21(18)26/h3-8,11-12,14H,9-10,13,15H2,1-2H3,(H,25,28)
InChIKeyCHCSQJSJYJTNHE-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.84
Rot. Bonds6

About 2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2,4-dimethylphenyl)acetamide

2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2,4-dimethylphenyl)acetamide (PubChem CID 7178299) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is 2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2,4-dimethylphenyl)acetamide
PubChem CID7178299
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Name2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2coc(CN3CCc4ccccc43)cc2=O)c(C)c1
InChIInChI=1S/C24H24N2O4/c1-16-7-8-20(17(2)11-16)25-24(28)15-30-23-14-29-19(12-22(23)27)13-26-10-9-18-5-3-4-6-21(18)26/h3-8,11-12,14H,9-10,13,15H2,1-2H3,(H,25,28)
InChIKeyCHCSQJSJYJTNHE-UHFFFAOYSA-N
XLogP3.84
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2,4-dimethylphenyl)acetamide (CID 7178299) is 2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)COc2coc(CN3CCc4ccccc43)cc2=O)c(C)c1.
What is the InChIKey of 2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2,4-dimethylphenyl)acetamide?
The InChIKey is CHCSQJSJYJTNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-16-7-8-20(17(2)11-16)25-24(28)15-30-23-14-29-19(12-22(23)27)13-26-10-9-18-5-3-4-6-21(18)26/h3-8,11-12,14H,9-10,13,15H2,1-2H3,(H,25,28).
What are the key properties of 2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2,4-dimethylphenyl)acetamide?
2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2,4-dimethylphenyl)acetamide has a molecular weight of 404.47 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 7178299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).