2-(2,6-dimethylmorpholin-4-yl)-1-(2-methyl-1H-indol-3-yl)ethanone

C17H22N2O2 — CID 3791119

IUPAC2-(2,6-dimethylmorpholin-4-yl)-1-(2-methyl-1H-indol-3-yl)ethanone
SMILESCc1[nH]c2ccccc2c1C(=O)CN1CC(C)OC(C)C1
InChIInChI=1S/C17H22N2O2/c1-11-8-19(9-12(2)21-11)10-16(20)17-13(3)18-15-7-5-4-6-14(15)17/h4-7,11-12,18H,8-10H2,1-3H3
InChIKeyUZPGHLKTCBBACN-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.77
Rot. Bonds3

About 2-(2,6-dimethylmorpholin-4-yl)-1-(2-methyl-1H-indol-3-yl)ethanone

2-(2,6-dimethylmorpholin-4-yl)-1-(2-methyl-1H-indol-3-yl)ethanone (PubChem CID 3791119) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-(2,6-dimethylmorpholin-4-yl)-1-(2-methyl-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-(2,6-dimethylmorpholin-4-yl)-1-(2-methyl-1H-indol-3-yl)ethanone
PubChem CID3791119
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name2-(2,6-dimethylmorpholin-4-yl)-1-(2-methyl-1H-indol-3-yl)ethanone
SMILESCc1[nH]c2ccccc2c1C(=O)CN1CC(C)OC(C)C1
InChIInChI=1S/C17H22N2O2/c1-11-8-19(9-12(2)21-11)10-16(20)17-13(3)18-15-7-5-4-6-14(15)17/h4-7,11-12,18H,8-10H2,1-3H3
InChIKeyUZPGHLKTCBBACN-UHFFFAOYSA-N
XLogP2.77
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-1-(2-methyl-1H-indol-3-yl)ethanone?
The IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-1-(2-methyl-1H-indol-3-yl)ethanone (CID 3791119) is 2-(2,6-dimethylmorpholin-4-yl)-1-(2-methyl-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-(2,6-dimethylmorpholin-4-yl)-1-(2-methyl-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-(2,6-dimethylmorpholin-4-yl)-1-(2-methyl-1H-indol-3-yl)ethanone is Cc1[nH]c2ccccc2c1C(=O)CN1CC(C)OC(C)C1.
What is the InChIKey of 2-(2,6-dimethylmorpholin-4-yl)-1-(2-methyl-1H-indol-3-yl)ethanone?
The InChIKey is UZPGHLKTCBBACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-11-8-19(9-12(2)21-11)10-16(20)17-13(3)18-15-7-5-4-6-14(15)17/h4-7,11-12,18H,8-10H2,1-3H3.
What are the key properties of 2-(2,6-dimethylmorpholin-4-yl)-1-(2-methyl-1H-indol-3-yl)ethanone?
2-(2,6-dimethylmorpholin-4-yl)-1-(2-methyl-1H-indol-3-yl)ethanone has a molecular weight of 286.37 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylmorpholin-4-yl)-1-(2-methyl-1H-indol-3-yl)ethanone is sourced from PubChem (CID 3791119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).