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

C24H24N2O4 — CID 7178371

IUPAC2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2-phenylethyl)acetamide
SMILESO=C(COc1coc(CN2CCc3ccccc32)cc1=O)NCCc1ccccc1
InChIInChI=1S/C24H24N2O4/c27-22-14-20(15-26-13-11-19-8-4-5-9-21(19)26)29-16-23(22)30-17-24(28)25-12-10-18-6-2-1-3-7-18/h1-9,14,16H,10-13,15,17H2,(H,25,28)
InChIKeyCCDDFDWJDDYRSI-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.94
Rot. Bonds8

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

2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2-phenylethyl)acetamide (PubChem CID 7178371) 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-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2-phenylethyl)acetamide
PubChem CID7178371
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-phenylethyl)acetamide
SMILESO=C(COc1coc(CN2CCc3ccccc32)cc1=O)NCCc1ccccc1
InChIInChI=1S/C24H24N2O4/c27-22-14-20(15-26-13-11-19-8-4-5-9-21(19)26)29-16-23(22)30-17-24(28)25-12-10-18-6-2-1-3-7-18/h1-9,14,16H,10-13,15,17H2,(H,25,28)
InChIKeyCCDDFDWJDDYRSI-UHFFFAOYSA-N
XLogP2.94
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,3-Dihydroindol-1-ylmethyl)-5-(2-oxo-2-piperidin-1-ylethoxy)pyran-4-one
CID 7178232
2-((6-((3,4-dihydroquinolin-1(2H)-yl)methyl)-4-oxo-4H-pyran-3-yl)oxy)-N-(o-tolyl)acetamide
CID 7178270
2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2,5-dimethylphenyl)acetamide
CID 7178290
2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2,4-dimethylphenyl)acetamide
CID 7178299
2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(3-fluorophenyl)acetamide
CID 7178592
N-(2,3-dimethylphenyl)-2-({4-oxo-6-[(4-phenylpiperazin-1-yl)methyl]-4H-pyran-3-yl}oxy)acetamide
CID 16802988
5-(2-(indolin-1-yl)-2-oxoethoxy)-2-((4-phenylpiperazin-1-yl)methyl)-4H-pyran-4-one
CID 16812832
2-((6-((4-benzylpiperazin-1-yl)methyl)-4-oxo-4H-pyran-3-yl)oxy)-N-(o-tolyl)acetamide
CID 16830099
2-((6-((2-methylindolin-1-yl)methyl)-4-oxo-4H-pyran-3-yl)oxy)-N-phenethylacetamide
CID 16830117
2-((4-oxo-6-((4-phenylpiperazin-1-yl)methyl)-4H-pyran-3-yl)oxy)-N-(o-tolyl)acetamide
CID 18575663
2-((4-oxo-6-((4-phenylpiperazin-1-yl)methyl)-4H-pyran-3-yl)oxy)-N-(p-tolyl)acetamide
CID 18575668
N-(4-ethylphenyl)-2-((4-oxo-6-((4-phenylpiperazin-1-yl)methyl)-4H-pyran-3-yl)oxy)acetamide
CID 18575672

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2-phenylethyl)acetamide (CID 7178371) is 2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2-phenylethyl)acetamide is O=C(COc1coc(CN2CCc3ccccc32)cc1=O)NCCc1ccccc1.
What is the InChIKey of 2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2-phenylethyl)acetamide?
The InChIKey is CCDDFDWJDDYRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c27-22-14-20(15-26-13-11-19-8-4-5-9-21(19)26)29-16-23(22)30-17-24(28)25-12-10-18-6-2-1-3-7-18/h1-9,14,16H,10-13,15,17H2,(H,25,28).
What are the key properties of 2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2-phenylethyl)acetamide?
2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2-phenylethyl)acetamide has a molecular weight of 404.47 g/mol, XLogP of 2.94, 8 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-phenylethyl)acetamide is sourced from PubChem (CID 7178371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).