(2,6-dimethylmorpholin-4-yl)-(5-ethoxy-1-ethyl-3-methylindol-2-yl)methanone

C20H28N2O3 — CID 110499054

IUPAC(2,6-dimethylmorpholin-4-yl)-(5-ethoxy-1-ethyl-3-methylindol-2-yl)methanone
SMILESCCOc1ccc2c(c1)c(C)c(C(=O)N1CC(C)OC(C)C1)n2CC
InChIInChI=1S/C20H28N2O3/c1-6-22-18-9-8-16(24-7-2)10-17(18)15(5)19(22)20(23)21-11-13(3)25-14(4)12-21/h8-10,13-14H,6-7,11-12H2,1-5H3
InChIKeyGQXFQSRJYKBVCO-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.62
Rot. Bonds4

About (2,6-dimethylmorpholin-4-yl)-(5-ethoxy-1-ethyl-3-methylindol-2-yl)methanone

(2,6-dimethylmorpholin-4-yl)-(5-ethoxy-1-ethyl-3-methylindol-2-yl)methanone (PubChem CID 110499054) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is (2,6-dimethylmorpholin-4-yl)-(5-ethoxy-1-ethyl-3-methylindol-2-yl)methanone.

Molecular Properties

Compound Name(2,6-dimethylmorpholin-4-yl)-(5-ethoxy-1-ethyl-3-methylindol-2-yl)methanone
PubChem CID110499054
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name(2,6-dimethylmorpholin-4-yl)-(5-ethoxy-1-ethyl-3-methylindol-2-yl)methanone
SMILESCCOc1ccc2c(c1)c(C)c(C(=O)N1CC(C)OC(C)C1)n2CC
InChIInChI=1S/C20H28N2O3/c1-6-22-18-9-8-16(24-7-2)10-17(18)15(5)19(22)20(23)21-11-13(3)25-14(4)12-21/h8-10,13-14H,6-7,11-12H2,1-5H3
InChIKeyGQXFQSRJYKBVCO-UHFFFAOYSA-N
XLogP3.62
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylmorpholin-4-yl)-(5-ethoxy-1-ethyl-3-methylindol-2-yl)methanone?
The IUPAC name of (2,6-dimethylmorpholin-4-yl)-(5-ethoxy-1-ethyl-3-methylindol-2-yl)methanone (CID 110499054) is (2,6-dimethylmorpholin-4-yl)-(5-ethoxy-1-ethyl-3-methylindol-2-yl)methanone.
What is the SMILES notation for (2,6-dimethylmorpholin-4-yl)-(5-ethoxy-1-ethyl-3-methylindol-2-yl)methanone?
The canonical SMILES for (2,6-dimethylmorpholin-4-yl)-(5-ethoxy-1-ethyl-3-methylindol-2-yl)methanone is CCOc1ccc2c(c1)c(C)c(C(=O)N1CC(C)OC(C)C1)n2CC.
What is the InChIKey of (2,6-dimethylmorpholin-4-yl)-(5-ethoxy-1-ethyl-3-methylindol-2-yl)methanone?
The InChIKey is GQXFQSRJYKBVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-6-22-18-9-8-16(24-7-2)10-17(18)15(5)19(22)20(23)21-11-13(3)25-14(4)12-21/h8-10,13-14H,6-7,11-12H2,1-5H3.
What are the key properties of (2,6-dimethylmorpholin-4-yl)-(5-ethoxy-1-ethyl-3-methylindol-2-yl)methanone?
(2,6-dimethylmorpholin-4-yl)-(5-ethoxy-1-ethyl-3-methylindol-2-yl)methanone has a molecular weight of 344.46 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylmorpholin-4-yl)-(5-ethoxy-1-ethyl-3-methylindol-2-yl)methanone is sourced from PubChem (CID 110499054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).