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

C21H24N2O5 — CID 16812837

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

2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 16812837) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is 2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: 2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(oxolan-2-ylmethyl)acetamide
• PubChem CID: 16812837
• Molecular Formula: C21H24N2O5
• Molecular Weight: 384.43 g/mol
• Exact Mass: 384.17
• IUPAC Name: 2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(oxolan-2-ylmethyl)acetamide
• SMILES: O=C(COc1coc(CN2CCc3ccccc32)cc1=O)NCC1CCCO1
• InChI: InChI=1S/C21H24N2O5/c24-19-10-17(12-23-8-7-15-4-1-2-6-18(15)23)27-13-20(19)28-14-21(25)22-11-16-5-3-9-26-16/h1-2,4,6,10,13,16H,3,5,7-9,11-12,14H2,(H,22,25)
• InChIKey: OCMKKESNJOXVFB-UHFFFAOYSA-N
• XLogP: 1.88
• TPSA: 81.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.43
LogP ≤ 5	1.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(oxolan-2-ylmethyl)acetamide?

The IUPAC name of 2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(oxolan-2-ylmethyl)acetamide (CID 16812837) is 2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(oxolan-2-ylmethyl)acetamide.

What is the SMILES notation for 2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(oxolan-2-ylmethyl)acetamide?

The canonical SMILES for 2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(oxolan-2-ylmethyl)acetamide is O=C(COc1coc(CN2CCc3ccccc32)cc1=O)NCC1CCCO1.

What is the InChIKey of 2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(oxolan-2-ylmethyl)acetamide?

The InChIKey is OCMKKESNJOXVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c24-19-10-17(12-23-8-7-15-4-1-2-6-18(15)23)27-13-20(19)28-14-21(25)22-11-16-5-3-9-26-16/h1-2,4,6,10,13,16H,3,5,7-9,11-12,14H2,(H,22,25).

What are the key properties of 2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(oxolan-2-ylmethyl)acetamide?

2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 384.43 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 6 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-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 16812837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).