2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2,5-dimethoxyphenyl)acetamide

C24H24N2O6 — CID 18575677

IUPAC2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)COc2coc(CN3CCc4ccccc43)cc2=O)c1
InChIInChI=1S/C24H24N2O6/c1-29-17-7-8-22(30-2)19(11-17)25-24(28)15-32-23-14-31-18(12-21(23)27)13-26-10-9-16-5-3-4-6-20(16)26/h3-8,11-12,14H,9-10,13,15H2,1-2H3,(H,25,28)
InChIKeyVGXNTDUKCVLONK-UHFFFAOYSA-N
MW436.46 g/mol
LogP3.24
Rot. Bonds8

About 2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2,5-dimethoxyphenyl)acetamide

2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2,5-dimethoxyphenyl)acetamide (PubChem CID 18575677) has the molecular formula C24H24N2O6 and a molecular weight of 436.46 g/mol. Its IUPAC name is 2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2,5-dimethoxyphenyl)acetamide
PubChem CID18575677
Molecular FormulaC24H24N2O6
Molecular Weight436.46 g/mol
Exact Mass436.16
IUPAC Name2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)COc2coc(CN3CCc4ccccc43)cc2=O)c1
InChIInChI=1S/C24H24N2O6/c1-29-17-7-8-22(30-2)19(11-17)25-24(28)15-32-23-14-31-18(12-21(23)27)13-26-10-9-16-5-3-4-6-20(16)26/h3-8,11-12,14H,9-10,13,15H2,1-2H3,(H,25,28)
InChIKeyVGXNTDUKCVLONK-UHFFFAOYSA-N
XLogP3.24
TPSA90.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-(2,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2,5-dimethoxyphenyl)acetamide (CID 18575677) is 2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2,5-dimethoxyphenyl)acetamide is COc1ccc(OC)c(NC(=O)COc2coc(CN3CCc4ccccc43)cc2=O)c1.
What is the InChIKey of 2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2,5-dimethoxyphenyl)acetamide?
The InChIKey is VGXNTDUKCVLONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O6/c1-29-17-7-8-22(30-2)19(11-17)25-24(28)15-32-23-14-31-18(12-21(23)27)13-26-10-9-16-5-3-4-6-20(16)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-(2,5-dimethoxyphenyl)acetamide?
2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2,5-dimethoxyphenyl)acetamide has a molecular weight of 436.46 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 7 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-(2,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 18575677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).