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

C17H22N2O3 — CID 664806

IUPAC2-(2,6-dimethylmorpholin-4-yl)-1-(6-methoxy-1H-indol-3-yl)ethanone
SMILESCOc1ccc2c(C(=O)CN3CC(C)OC(C)C3)c[nH]c2c1
InChIInChI=1S/C17H22N2O3/c1-11-8-19(9-12(2)22-11)10-17(20)15-7-18-16-6-13(21-3)4-5-14(15)16/h4-7,11-12,18H,8-10H2,1-3H3
InChIKeyCPLDFFPVDWBVMY-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.47
Rot. Bonds4

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

2-(2,6-dimethylmorpholin-4-yl)-1-(6-methoxy-1H-indol-3-yl)ethanone (PubChem CID 664806) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-(2,6-dimethylmorpholin-4-yl)-1-(6-methoxy-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-(2,6-dimethylmorpholin-4-yl)-1-(6-methoxy-1H-indol-3-yl)ethanone
PubChem CID664806
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name2-(2,6-dimethylmorpholin-4-yl)-1-(6-methoxy-1H-indol-3-yl)ethanone
SMILESCOc1ccc2c(C(=O)CN3CC(C)OC(C)C3)c[nH]c2c1
InChIInChI=1S/C17H22N2O3/c1-11-8-19(9-12(2)22-11)10-17(20)15-7-18-16-6-13(21-3)4-5-14(15)16/h4-7,11-12,18H,8-10H2,1-3H3
InChIKeyCPLDFFPVDWBVMY-UHFFFAOYSA-N
XLogP2.47
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-1-(6-methoxy-1H-indol-3-yl)ethanone?
The IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-1-(6-methoxy-1H-indol-3-yl)ethanone (CID 664806) is 2-(2,6-dimethylmorpholin-4-yl)-1-(6-methoxy-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-(2,6-dimethylmorpholin-4-yl)-1-(6-methoxy-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-(2,6-dimethylmorpholin-4-yl)-1-(6-methoxy-1H-indol-3-yl)ethanone is COc1ccc2c(C(=O)CN3CC(C)OC(C)C3)c[nH]c2c1.
What is the InChIKey of 2-(2,6-dimethylmorpholin-4-yl)-1-(6-methoxy-1H-indol-3-yl)ethanone?
The InChIKey is CPLDFFPVDWBVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-11-8-19(9-12(2)22-11)10-17(20)15-7-18-16-6-13(21-3)4-5-14(15)16/h4-7,11-12,18H,8-10H2,1-3H3.
What are the key properties of 2-(2,6-dimethylmorpholin-4-yl)-1-(6-methoxy-1H-indol-3-yl)ethanone?
2-(2,6-dimethylmorpholin-4-yl)-1-(6-methoxy-1H-indol-3-yl)ethanone has a molecular weight of 302.37 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylmorpholin-4-yl)-1-(6-methoxy-1H-indol-3-yl)ethanone is sourced from PubChem (CID 664806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).