2-(2,6-dimethylmorpholin-4-yl)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone

C20H26N2O2 — CID 3601182

IUPAC2-(2,6-dimethylmorpholin-4-yl)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone
SMILESCc1cc(C(=O)CN2CC(C)OC(C)C2)c(C)n1-c1ccccc1
InChIInChI=1S/C20H26N2O2/c1-14-10-19(17(4)22(14)18-8-6-5-7-9-18)20(23)13-21-11-15(2)24-16(3)12-21/h5-10,15-16H,11-13H2,1-4H3
InChIKeyQXYORBWBBMQBNT-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.39
Rot. Bonds4

About 2-(2,6-dimethylmorpholin-4-yl)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone

2-(2,6-dimethylmorpholin-4-yl)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone (PubChem CID 3601182) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-(2,6-dimethylmorpholin-4-yl)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name2-(2,6-dimethylmorpholin-4-yl)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone
PubChem CID3601182
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name2-(2,6-dimethylmorpholin-4-yl)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone
SMILESCc1cc(C(=O)CN2CC(C)OC(C)C2)c(C)n1-c1ccccc1
InChIInChI=1S/C20H26N2O2/c1-14-10-19(17(4)22(14)18-8-6-5-7-9-18)20(23)13-21-11-15(2)24-16(3)12-21/h5-10,15-16H,11-13H2,1-4H3
InChIKeyQXYORBWBBMQBNT-UHFFFAOYSA-N
XLogP3.39
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone?
The IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone (CID 3601182) is 2-(2,6-dimethylmorpholin-4-yl)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone.
What is the SMILES notation for 2-(2,6-dimethylmorpholin-4-yl)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone?
The canonical SMILES for 2-(2,6-dimethylmorpholin-4-yl)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone is Cc1cc(C(=O)CN2CC(C)OC(C)C2)c(C)n1-c1ccccc1.
What is the InChIKey of 2-(2,6-dimethylmorpholin-4-yl)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone?
The InChIKey is QXYORBWBBMQBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-14-10-19(17(4)22(14)18-8-6-5-7-9-18)20(23)13-21-11-15(2)24-16(3)12-21/h5-10,15-16H,11-13H2,1-4H3.
What are the key properties of 2-(2,6-dimethylmorpholin-4-yl)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone?
2-(2,6-dimethylmorpholin-4-yl)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone has a molecular weight of 326.44 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylmorpholin-4-yl)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone is sourced from PubChem (CID 3601182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).