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

C24H24N2O5 — CID 7178320

IUPAC2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)COc2coc(CN3CCc4ccccc43)cc2=O)cc1
InChIInChI=1S/C24H24N2O5/c1-2-29-19-9-7-18(8-10-19)25-24(28)16-31-23-15-30-20(13-22(23)27)14-26-12-11-17-5-3-4-6-21(17)26/h3-10,13,15H,2,11-12,14,16H2,1H3,(H,25,28)
InChIKeyCMOILTMFCOBGBQ-UHFFFAOYSA-N
MW420.47 g/mol
LogP3.62
Rot. Bonds8

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

2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(4-ethoxyphenyl)acetamide (PubChem CID 7178320) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is 2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(4-ethoxyphenyl)acetamide
PubChem CID7178320
Molecular FormulaC24H24N2O5
Molecular Weight420.47 g/mol
Exact Mass420.17
IUPAC Name2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)COc2coc(CN3CCc4ccccc43)cc2=O)cc1
InChIInChI=1S/C24H24N2O5/c1-2-29-19-9-7-18(8-10-19)25-24(28)16-31-23-15-30-20(13-22(23)27)14-26-12-11-17-5-3-4-6-21(17)26/h3-10,13,15H,2,11-12,14,16H2,1H3,(H,25,28)
InChIKeyCMOILTMFCOBGBQ-UHFFFAOYSA-N
XLogP3.62
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(4-ethylphenyl)acetamide
CID 7178303
N-(3-chlorophenyl)-2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxyacetamide
CID 7178595
2-[6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(2,3-dimethylphenyl)acetamide
CID 7178285
2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(oxolan-2-ylmethyl)acetamide
CID 16812837
2-[6-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-phenylacetamide
CID 7178264
methyl 4-[[2-[6-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]methyl]-4-oxopyran-3-yl]oxyacetyl]amino]benzoate
CID 41184704
2-[6-(2,3-dihydroindole-1-carbonyl)-4-oxopyran-3-yl]oxy-N-(2-ethoxyphenyl)acetamide
CID 30864833
2-[6-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-4-oxopyran-3-yl]oxy-N-phenylacetamide
CID 16802987
2-(2,3-dihydroindol-1-ylmethyl)-5-[[4-(trifluoromethyl)phenyl]methoxy]pyran-4-one
CID 7541840
2-[6-[(4-benzylpiperazin-1-yl)methyl]-4-oxopyran-3-yl]oxy-N-(3-methylphenyl)acetamide
CID 18575664
2-(2,3-dihydroindol-1-yl)-N-(4-prop-2-enoxyphenyl)acetamide
CID 54810668
2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-[2-(4-methoxyphenyl)-2-oxoethoxy]pyran-4-one
CID 7292993

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(4-ethoxyphenyl)acetamide (CID 7178320) is 2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)COc2coc(CN3CCc4ccccc43)cc2=O)cc1.
What is the InChIKey of 2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(4-ethoxyphenyl)acetamide?
The InChIKey is CMOILTMFCOBGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5/c1-2-29-19-9-7-18(8-10-19)25-24(28)16-31-23-15-30-20(13-22(23)27)14-26-12-11-17-5-3-4-6-21(17)26/h3-10,13,15H,2,11-12,14,16H2,1H3,(H,25,28).
What are the key properties of 2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(4-ethoxyphenyl)acetamide?
2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(4-ethoxyphenyl)acetamide has a molecular weight of 420.47 g/mol, XLogP of 3.62, 8 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-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 7178320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).