1-(5-acetyl-2,3-dihydroindol-1-yl)-2-(2,4-dimethoxyphenyl)ethanone

C20H21NO4 — CID 84556507

IUPAC1-(5-acetyl-2,3-dihydroindol-1-yl)-2-(2,4-dimethoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CCc3cc(C(C)=O)ccc32)c(OC)c1
InChIInChI=1S/C20H21NO4/c1-13(22)14-5-7-18-15(10-14)8-9-21(18)20(23)11-16-4-6-17(24-2)12-19(16)25-3/h4-7,10,12H,8-9,11H2,1-3H3
InChIKeyJQSZEGDEIIFNKH-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.04
Rot. Bonds5

About 1-(5-acetyl-2,3-dihydroindol-1-yl)-2-(2,4-dimethoxyphenyl)ethanone

1-(5-acetyl-2,3-dihydroindol-1-yl)-2-(2,4-dimethoxyphenyl)ethanone (PubChem CID 84556507) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is 1-(5-acetyl-2,3-dihydroindol-1-yl)-2-(2,4-dimethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(5-acetyl-2,3-dihydroindol-1-yl)-2-(2,4-dimethoxyphenyl)ethanone
PubChem CID84556507
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name1-(5-acetyl-2,3-dihydroindol-1-yl)-2-(2,4-dimethoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CCc3cc(C(C)=O)ccc32)c(OC)c1
InChIInChI=1S/C20H21NO4/c1-13(22)14-5-7-18-15(10-14)8-9-21(18)20(23)11-16-4-6-17(24-2)12-19(16)25-3/h4-7,10,12H,8-9,11H2,1-3H3
InChIKeyJQSZEGDEIIFNKH-UHFFFAOYSA-N
XLogP3.04
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-acetyl-2,3-dihydroindol-1-yl)-2-(2-methoxyphenoxy)ethanone
CID 110737370
1-[1-(3,5-dimethoxybenzoyl)-2,3-dihydroindol-5-yl]ethanone
CID 110737350
1-[2-(2,4-dimethoxyphenyl)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435162
1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(2,3,4-trimethoxyphenyl)ethanone
CID 18122079
1-(5-methoxy-2,3-dihydroindol-1-yl)-2-(4-methylphenyl)ethanone
CID 110714096
2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119310079
2-(5-acetyl-2-methoxyphenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 43024576
1-acetyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 26541895
1-(5-methoxy-2,3-dihydroindol-1-yl)-3-(methylamino)propan-1-one
CID 83624058
N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(2,5-dimethoxyphenyl)propanamide
CID 38073244
1-(6-acetyl-3,4-dihydro-2H-quinolin-1-yl)-2-(2-fluorophenyl)ethanone
CID 110737728
2-(4-fluoro-2-methoxyphenyl)-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone
CID 142476991

Frequently Asked Questions

What is the IUPAC name of 1-(5-acetyl-2,3-dihydroindol-1-yl)-2-(2,4-dimethoxyphenyl)ethanone?
The IUPAC name of 1-(5-acetyl-2,3-dihydroindol-1-yl)-2-(2,4-dimethoxyphenyl)ethanone (CID 84556507) is 1-(5-acetyl-2,3-dihydroindol-1-yl)-2-(2,4-dimethoxyphenyl)ethanone.
What is the SMILES notation for 1-(5-acetyl-2,3-dihydroindol-1-yl)-2-(2,4-dimethoxyphenyl)ethanone?
The canonical SMILES for 1-(5-acetyl-2,3-dihydroindol-1-yl)-2-(2,4-dimethoxyphenyl)ethanone is COc1ccc(CC(=O)N2CCc3cc(C(C)=O)ccc32)c(OC)c1.
What is the InChIKey of 1-(5-acetyl-2,3-dihydroindol-1-yl)-2-(2,4-dimethoxyphenyl)ethanone?
The InChIKey is JQSZEGDEIIFNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-13(22)14-5-7-18-15(10-14)8-9-21(18)20(23)11-16-4-6-17(24-2)12-19(16)25-3/h4-7,10,12H,8-9,11H2,1-3H3.
What are the key properties of 1-(5-acetyl-2,3-dihydroindol-1-yl)-2-(2,4-dimethoxyphenyl)ethanone?
1-(5-acetyl-2,3-dihydroindol-1-yl)-2-(2,4-dimethoxyphenyl)ethanone has a molecular weight of 339.39 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-acetyl-2,3-dihydroindol-1-yl)-2-(2,4-dimethoxyphenyl)ethanone is sourced from PubChem (CID 84556507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).