2-(5-ethyl-2-methylmorpholin-4-yl)-1-(4-methylphenyl)propan-1-one

C17H25NO2 — CID 60680544

IUPAC2-(5-ethyl-2-methylmorpholin-4-yl)-1-(4-methylphenyl)propan-1-one
SMILESCCC1COC(C)CN1C(C)C(=O)c1ccc(C)cc1
InChIInChI=1S/C17H25NO2/c1-5-16-11-20-13(3)10-18(16)14(4)17(19)15-8-6-12(2)7-9-15/h6-9,13-14,16H,5,10-11H2,1-4H3
InChIKeyYFIGCZOAGPPMOF-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.07
Rot. Bonds4

About 2-(5-ethyl-2-methylmorpholin-4-yl)-1-(4-methylphenyl)propan-1-one

2-(5-ethyl-2-methylmorpholin-4-yl)-1-(4-methylphenyl)propan-1-one (PubChem CID 60680544) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-(5-ethyl-2-methylmorpholin-4-yl)-1-(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name2-(5-ethyl-2-methylmorpholin-4-yl)-1-(4-methylphenyl)propan-1-one
PubChem CID60680544
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-(5-ethyl-2-methylmorpholin-4-yl)-1-(4-methylphenyl)propan-1-one
SMILESCCC1COC(C)CN1C(C)C(=O)c1ccc(C)cc1
InChIInChI=1S/C17H25NO2/c1-5-16-11-20-13(3)10-18(16)14(4)17(19)15-8-6-12(2)7-9-15/h6-9,13-14,16H,5,10-11H2,1-4H3
InChIKeyYFIGCZOAGPPMOF-UHFFFAOYSA-N
XLogP3.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2-methylmorpholin-4-yl)-1-(4-methylphenyl)propan-1-one?
The IUPAC name of 2-(5-ethyl-2-methylmorpholin-4-yl)-1-(4-methylphenyl)propan-1-one (CID 60680544) is 2-(5-ethyl-2-methylmorpholin-4-yl)-1-(4-methylphenyl)propan-1-one.
What is the SMILES notation for 2-(5-ethyl-2-methylmorpholin-4-yl)-1-(4-methylphenyl)propan-1-one?
The canonical SMILES for 2-(5-ethyl-2-methylmorpholin-4-yl)-1-(4-methylphenyl)propan-1-one is CCC1COC(C)CN1C(C)C(=O)c1ccc(C)cc1.
What is the InChIKey of 2-(5-ethyl-2-methylmorpholin-4-yl)-1-(4-methylphenyl)propan-1-one?
The InChIKey is YFIGCZOAGPPMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-5-16-11-20-13(3)10-18(16)14(4)17(19)15-8-6-12(2)7-9-15/h6-9,13-14,16H,5,10-11H2,1-4H3.
What are the key properties of 2-(5-ethyl-2-methylmorpholin-4-yl)-1-(4-methylphenyl)propan-1-one?
2-(5-ethyl-2-methylmorpholin-4-yl)-1-(4-methylphenyl)propan-1-one has a molecular weight of 275.39 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2-methylmorpholin-4-yl)-1-(4-methylphenyl)propan-1-one is sourced from PubChem (CID 60680544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).