2-(7-ethyl-1H-indol-3-yl)-1-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone

C20H28N2O3 — CID 128969518

IUPAC2-(7-ethyl-1H-indol-3-yl)-1-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
SMILESCCc1cccc2c(CC(=O)N3CC(COC)OC(C)(C)C3)c[nH]c12
InChIInChI=1S/C20H28N2O3/c1-5-14-7-6-8-17-15(10-21-19(14)17)9-18(23)22-11-16(12-24-4)25-20(2,3)13-22/h6-8,10,16,21H,5,9,11-13H2,1-4H3
InChIKeyXAADSERGONHHBX-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.93
Rot. Bonds5

About 2-(7-ethyl-1H-indol-3-yl)-1-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone

2-(7-ethyl-1H-indol-3-yl)-1-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone (PubChem CID 128969518) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-(7-ethyl-1H-indol-3-yl)-1-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(7-ethyl-1H-indol-3-yl)-1-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
PubChem CID128969518
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name2-(7-ethyl-1H-indol-3-yl)-1-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
SMILESCCc1cccc2c(CC(=O)N3CC(COC)OC(C)(C)C3)c[nH]c12
InChIInChI=1S/C20H28N2O3/c1-5-14-7-6-8-17-15(10-21-19(14)17)9-18(23)22-11-16(12-24-4)25-20(2,3)13-22/h6-8,10,16,21H,5,9,11-13H2,1-4H3
InChIKeyXAADSERGONHHBX-UHFFFAOYSA-N
XLogP2.93
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(7-ethyl-1H-indol-3-yl)-1-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone with MolForge

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Related Compounds

2-(5-methoxy-1H-indol-3-yl)-1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
CID 129485500
2-(4-ethoxyphenyl)-1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
CID 129486314
1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(2-methyl-1-benzofuran-3-yl)ethanone
CID 129351192
1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-pyridin-3-ylethanone
CID 129485565
2-methoxy-1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
CID 129351165
1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-phenoxyethanone
CID 129485528
6-[2-(7-ethyl-1H-indol-3-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175180
(2S)-4-[2-(7-ethyl-1H-indol-3-yl)acetyl]morpholine-2-carboxylic acid
CID 124684080
1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(2-methoxyphenyl)ethanone
CID 114778686
1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-quinolin-3-ylethanone
CID 129484445
1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-2-quinolin-3-ylethanone
CID 129484446
[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[4-(methoxymethyl)phenyl]methanone
CID 129485960

Frequently Asked Questions

What is the IUPAC name of 2-(7-ethyl-1H-indol-3-yl)-1-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone?
The IUPAC name of 2-(7-ethyl-1H-indol-3-yl)-1-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone (CID 128969518) is 2-(7-ethyl-1H-indol-3-yl)-1-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone.
What is the SMILES notation for 2-(7-ethyl-1H-indol-3-yl)-1-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone?
The canonical SMILES for 2-(7-ethyl-1H-indol-3-yl)-1-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone is CCc1cccc2c(CC(=O)N3CC(COC)OC(C)(C)C3)c[nH]c12.
What is the InChIKey of 2-(7-ethyl-1H-indol-3-yl)-1-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone?
The InChIKey is XAADSERGONHHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-5-14-7-6-8-17-15(10-21-19(14)17)9-18(23)22-11-16(12-24-4)25-20(2,3)13-22/h6-8,10,16,21H,5,9,11-13H2,1-4H3.
What are the key properties of 2-(7-ethyl-1H-indol-3-yl)-1-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone?
2-(7-ethyl-1H-indol-3-yl)-1-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone has a molecular weight of 344.46 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-ethyl-1H-indol-3-yl)-1-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone is sourced from PubChem (CID 128969518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).