2-[2,2-dimethoxyethyl(methyl)amino]-1-(2,6-dimethyl-1H-indol-3-yl)ethanone

C17H24N2O3 — CID 3539182

IUPAC2-[2,2-dimethoxyethyl(methyl)amino]-1-(2,6-dimethyl-1H-indol-3-yl)ethanone
SMILESCOC(CN(C)CC(=O)c1c(C)[nH]c2cc(C)ccc12)OC
InChIInChI=1S/C17H24N2O3/c1-11-6-7-13-14(8-11)18-12(2)17(13)15(20)9-19(3)10-16(21-4)22-5/h6-8,16,18H,9-10H2,1-5H3
InChIKeyJZOXHLIFEVMMGI-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.52
Rot. Bonds7

About 2-[2,2-dimethoxyethyl(methyl)amino]-1-(2,6-dimethyl-1H-indol-3-yl)ethanone

2-[2,2-dimethoxyethyl(methyl)amino]-1-(2,6-dimethyl-1H-indol-3-yl)ethanone (PubChem CID 3539182) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-[2,2-dimethoxyethyl(methyl)amino]-1-(2,6-dimethyl-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-[2,2-dimethoxyethyl(methyl)amino]-1-(2,6-dimethyl-1H-indol-3-yl)ethanone
PubChem CID3539182
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name2-[2,2-dimethoxyethyl(methyl)amino]-1-(2,6-dimethyl-1H-indol-3-yl)ethanone
SMILESCOC(CN(C)CC(=O)c1c(C)[nH]c2cc(C)ccc12)OC
InChIInChI=1S/C17H24N2O3/c1-11-6-7-13-14(8-11)18-12(2)17(13)15(20)9-19(3)10-16(21-4)22-5/h6-8,16,18H,9-10H2,1-5H3
InChIKeyJZOXHLIFEVMMGI-UHFFFAOYSA-N
XLogP2.52
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl 2,6-dimethyl-1H-indole-3-carboxylate
CID 74890490
1-(2,6-dimethyl-1H-indol-3-yl)ethanone
CID 51342127
2-[(2,6-dimethyl-1H-indole-3-carbonyl)-methylamino]acetic acid
CID 110835933
2-(dimethylamino)-1-(2-methyl-1H-indol-3-yl)ethanone
CID 804946
2-[methyl-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 8729683
2-[butyl(methyl)amino]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 46800797
1-(2,6-dimethyl-1H-indol-3-yl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethanone;hydroiodide
CID 44668194
methyl 2-(2,6-dimethyl-1H-indol-3-yl)acetate
CID 54107367
2-[(2,3-dimethoxyphenyl)methyl-methylamino]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 9196744
(6-methoxy-2-methyl-1H-indol-3-yl)-(4-methylphenyl)methanone
CID 59430942
2-(2,6-dimethyl-1H-indol-3-yl)acetamide
CID 82491600
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-(2-methyl-1H-indol-3-yl)ethanone
CID 9295801

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-dimethoxyethyl(methyl)amino]-1-(2,6-dimethyl-1H-indol-3-yl)ethanone?
The IUPAC name of 2-[2,2-dimethoxyethyl(methyl)amino]-1-(2,6-dimethyl-1H-indol-3-yl)ethanone (CID 3539182) is 2-[2,2-dimethoxyethyl(methyl)amino]-1-(2,6-dimethyl-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-[2,2-dimethoxyethyl(methyl)amino]-1-(2,6-dimethyl-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-[2,2-dimethoxyethyl(methyl)amino]-1-(2,6-dimethyl-1H-indol-3-yl)ethanone is COC(CN(C)CC(=O)c1c(C)[nH]c2cc(C)ccc12)OC.
What is the InChIKey of 2-[2,2-dimethoxyethyl(methyl)amino]-1-(2,6-dimethyl-1H-indol-3-yl)ethanone?
The InChIKey is JZOXHLIFEVMMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-11-6-7-13-14(8-11)18-12(2)17(13)15(20)9-19(3)10-16(21-4)22-5/h6-8,16,18H,9-10H2,1-5H3.
What are the key properties of 2-[2,2-dimethoxyethyl(methyl)amino]-1-(2,6-dimethyl-1H-indol-3-yl)ethanone?
2-[2,2-dimethoxyethyl(methyl)amino]-1-(2,6-dimethyl-1H-indol-3-yl)ethanone has a molecular weight of 304.39 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-dimethoxyethyl(methyl)amino]-1-(2,6-dimethyl-1H-indol-3-yl)ethanone is sourced from PubChem (CID 3539182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).