2-(3,4-dimethoxyphenyl)-2-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one

C21H25NO3 — CID 113197671

IUPAC2-(3,4-dimethoxyphenyl)-2-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
SMILESCOc1ccc(C(C)(C)C(=O)N2c3ccccc3CC2C)cc1OC
InChIInChI=1S/C21H25NO3/c1-14-12-15-8-6-7-9-17(15)22(14)20(23)21(2,3)16-10-11-18(24-4)19(13-16)25-5/h6-11,13-14H,12H2,1-5H3
InChIKeyGBVFEULKFRGBPK-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.96
Rot. Bonds4

About 2-(3,4-dimethoxyphenyl)-2-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one

2-(3,4-dimethoxyphenyl)-2-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one (PubChem CID 113197671) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-2-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-2-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
PubChem CID113197671
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name2-(3,4-dimethoxyphenyl)-2-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
SMILESCOc1ccc(C(C)(C)C(=O)N2c3ccccc3CC2C)cc1OC
InChIInChI=1S/C21H25NO3/c1-14-12-15-8-6-7-9-17(15)22(14)20(23)21(2,3)16-10-11-18(24-4)19(13-16)25-5/h6-11,13-14H,12H2,1-5H3
InChIKeyGBVFEULKFRGBPK-UHFFFAOYSA-N
XLogP3.96
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-2-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 113197482
(2-methoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 19061805
2-(5-methoxy-1H-indol-3-yl)-2-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 113210272
(3-methoxynaphthalen-2-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 26910968
(2,6-dimethoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 17319734
2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 109002750
(3-chloro-4-methoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 133184168
(3-fluoro-4-methoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 46819959
[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7586805
[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 7291483
(4-tert-butylphenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 42065881
2,2-dimethyl-1-(2-methyl-2,3-dihydroindol-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958516

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-2-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-2-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one (CID 113197671) is 2-(3,4-dimethoxyphenyl)-2-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-2-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-2-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one is COc1ccc(C(C)(C)C(=O)N2c3ccccc3CC2C)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-2-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one?
The InChIKey is GBVFEULKFRGBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-14-12-15-8-6-7-9-17(15)22(14)20(23)21(2,3)16-10-11-18(24-4)19(13-16)25-5/h6-11,13-14H,12H2,1-5H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-2-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one?
2-(3,4-dimethoxyphenyl)-2-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one has a molecular weight of 339.44 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-2-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one is sourced from PubChem (CID 113197671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).