2-[(2,3-dimethoxyphenyl)methyl-methylamino]-1-(2-methyl-1H-indol-3-yl)ethanone

C21H24N2O3 — CID 9196744

IUPAC2-[(2,3-dimethoxyphenyl)methyl-methylamino]-1-(2-methyl-1H-indol-3-yl)ethanone
SMILESCOc1cccc(CN(C)CC(=O)c2c(C)[nH]c3ccccc23)c1OC
InChIInChI=1S/C21H24N2O3/c1-14-20(16-9-5-6-10-17(16)22-14)18(24)13-23(2)12-15-8-7-11-19(25-3)21(15)26-4/h5-11,22H,12-13H2,1-4H3
InChIKeyXWWXHCMZKBRDAE-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.81
Rot. Bonds7

About 2-[(2,3-dimethoxyphenyl)methyl-methylamino]-1-(2-methyl-1H-indol-3-yl)ethanone

2-[(2,3-dimethoxyphenyl)methyl-methylamino]-1-(2-methyl-1H-indol-3-yl)ethanone (PubChem CID 9196744) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 2-[(2,3-dimethoxyphenyl)methyl-methylamino]-1-(2-methyl-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-[(2,3-dimethoxyphenyl)methyl-methylamino]-1-(2-methyl-1H-indol-3-yl)ethanone
PubChem CID9196744
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name2-[(2,3-dimethoxyphenyl)methyl-methylamino]-1-(2-methyl-1H-indol-3-yl)ethanone
SMILESCOc1cccc(CN(C)CC(=O)c2c(C)[nH]c3ccccc23)c1OC
InChIInChI=1S/C21H24N2O3/c1-14-20(16-9-5-6-10-17(16)22-14)18(24)13-23(2)12-15-8-7-11-19(25-3)21(15)26-4/h5-11,22H,12-13H2,1-4H3
InChIKeyXWWXHCMZKBRDAE-UHFFFAOYSA-N
XLogP3.81
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dimethylamino)-1-(2-methyl-1H-indol-3-yl)ethanone
CID 804946
2-[butyl(methyl)amino]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 46800797
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 9295801
2-[(2-fluorophenyl)methyl-methylamino]-1-(2-phenyl-1H-indol-3-yl)ethanone
CID 18275114
2-[(2-hydroxyphenyl)methyl-propylamino]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 56526776
[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2,3-dimethoxybenzoate
CID 51483799
2-[methyl-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 8729683
[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate
CID 7599860
2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 24566367
1-(2-methyl-1H-indol-3-yl)-2-phenylethanone
CID 15577659
2-[ethyl(2-methylprop-2-enyl)amino]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 78787776
N-(4-chlorophenyl)-2-[methyl-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]amino]acetamide
CID 9167362

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethoxyphenyl)methyl-methylamino]-1-(2-methyl-1H-indol-3-yl)ethanone?
The IUPAC name of 2-[(2,3-dimethoxyphenyl)methyl-methylamino]-1-(2-methyl-1H-indol-3-yl)ethanone (CID 9196744) is 2-[(2,3-dimethoxyphenyl)methyl-methylamino]-1-(2-methyl-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-[(2,3-dimethoxyphenyl)methyl-methylamino]-1-(2-methyl-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-[(2,3-dimethoxyphenyl)methyl-methylamino]-1-(2-methyl-1H-indol-3-yl)ethanone is COc1cccc(CN(C)CC(=O)c2c(C)[nH]c3ccccc23)c1OC.
What is the InChIKey of 2-[(2,3-dimethoxyphenyl)methyl-methylamino]-1-(2-methyl-1H-indol-3-yl)ethanone?
The InChIKey is XWWXHCMZKBRDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-14-20(16-9-5-6-10-17(16)22-14)18(24)13-23(2)12-15-8-7-11-19(25-3)21(15)26-4/h5-11,22H,12-13H2,1-4H3.
What are the key properties of 2-[(2,3-dimethoxyphenyl)methyl-methylamino]-1-(2-methyl-1H-indol-3-yl)ethanone?
2-[(2,3-dimethoxyphenyl)methyl-methylamino]-1-(2-methyl-1H-indol-3-yl)ethanone has a molecular weight of 352.43 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethoxyphenyl)methyl-methylamino]-1-(2-methyl-1H-indol-3-yl)ethanone is sourced from PubChem (CID 9196744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).