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

C22H20N2O4 — CID 7178260

IUPAC2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-phenylacetamide
SMILESO=C(COc1coc(CN2CCc3ccccc32)cc1=O)Nc1ccccc1
InChIInChI=1S/C22H20N2O4/c25-20-12-18(13-24-11-10-16-6-4-5-9-19(16)24)27-14-21(20)28-15-22(26)23-17-7-2-1-3-8-17/h1-9,12,14H,10-11,13,15H2,(H,23,26)
InChIKeyLKUKFUWLZFDOTJ-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.22
Rot. Bonds6

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

2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-phenylacetamide (PubChem CID 7178260) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is 2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-phenylacetamide.

Molecular Properties

Compound Name2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-phenylacetamide
PubChem CID7178260
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-phenylacetamide
SMILESO=C(COc1coc(CN2CCc3ccccc32)cc1=O)Nc1ccccc1
InChIInChI=1S/C22H20N2O4/c25-20-12-18(13-24-11-10-16-6-4-5-9-19(16)24)27-14-21(20)28-15-22(26)23-17-7-2-1-3-8-17/h1-9,12,14H,10-11,13,15H2,(H,23,26)
InChIKeyLKUKFUWLZFDOTJ-UHFFFAOYSA-N
XLogP3.22
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.22
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-phenylacetamide?
The IUPAC name of 2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-phenylacetamide (CID 7178260) is 2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-phenylacetamide.
What is the SMILES notation for 2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-phenylacetamide?
The canonical SMILES for 2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-phenylacetamide is O=C(COc1coc(CN2CCc3ccccc32)cc1=O)Nc1ccccc1.
What is the InChIKey of 2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-phenylacetamide?
The InChIKey is LKUKFUWLZFDOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c25-20-12-18(13-24-11-10-16-6-4-5-9-19(16)24)27-14-21(20)28-15-22(26)23-17-7-2-1-3-8-17/h1-9,12,14H,10-11,13,15H2,(H,23,26).
What are the key properties of 2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-phenylacetamide?
2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-phenylacetamide has a molecular weight of 376.41 g/mol, XLogP of 3.22, 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-phenylacetamide is sourced from PubChem (CID 7178260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).