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

C24H24N2O4 — CID 7178303

IUPAC2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)COc2coc(CN3CCc4ccccc43)cc2=O)cc1
InChIInChI=1S/C24H24N2O4/c1-2-17-7-9-19(10-8-17)25-24(28)16-30-23-15-29-20(13-22(23)27)14-26-12-11-18-5-3-4-6-21(18)26/h3-10,13,15H,2,11-12,14,16H2,1H3,(H,25,28)
InChIKeyBSUNFFYUWDULDW-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.78
Rot. Bonds7

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

2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(4-ethylphenyl)acetamide (PubChem CID 7178303) 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-(4-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(4-ethylphenyl)acetamide
PubChem CID7178303
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Name2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)COc2coc(CN3CCc4ccccc43)cc2=O)cc1
InChIInChI=1S/C24H24N2O4/c1-2-17-7-9-19(10-8-17)25-24(28)16-30-23-15-29-20(13-22(23)27)14-26-12-11-18-5-3-4-6-21(18)26/h3-10,13,15H,2,11-12,14,16H2,1H3,(H,25,28)
InChIKeyBSUNFFYUWDULDW-UHFFFAOYSA-N
XLogP3.78
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(4-ethoxyphenyl)acetamide
CID 7178320
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
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-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
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
4-(2,3-dihydroindol-1-ylmethyl)-N-(4-ethylphenyl)benzamide
CID 99953473
2-[6-(2,3-dihydroindole-1-carbonyl)-4-oxopyran-3-yl]oxy-N-(2-ethoxyphenyl)acetamide
CID 30864833
2-[6-[(4-benzylpiperazin-1-yl)methyl]-4-oxopyran-3-yl]oxy-N-(3-methylphenyl)acetamide
CID 18575664
N-(3-acetylphenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide
CID 51054597

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(4-ethylphenyl)acetamide?
The IUPAC name of 2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(4-ethylphenyl)acetamide (CID 7178303) is 2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for 2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(4-ethylphenyl)acetamide?
The canonical SMILES for 2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(4-ethylphenyl)acetamide is CCc1ccc(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-ethylphenyl)acetamide?
The InChIKey is BSUNFFYUWDULDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-2-17-7-9-19(10-8-17)25-24(28)16-30-23-15-29-20(13-22(23)27)14-26-12-11-18-5-3-4-6-21(18)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-ethylphenyl)acetamide?
2-[6-(2,3-dihydroindol-1-ylmethyl)-4-oxopyran-3-yl]oxy-N-(4-ethylphenyl)acetamide has a molecular weight of 404.47 g/mol, XLogP of 3.78, 7 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-(4-ethylphenyl)acetamide is sourced from PubChem (CID 7178303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).