2,6-diethyl-6-(3-methoxyphenyl)-4-methylmorpholin-3-one

C16H23NO3 — CID 70527440

IUPAC2,6-diethyl-6-(3-methoxyphenyl)-4-methylmorpholin-3-one
SMILESCCC1OC(CC)(c2cccc(OC)c2)CN(C)C1=O
InChIInChI=1S/C16H23NO3/c1-5-14-15(18)17(3)11-16(6-2,20-14)12-8-7-9-13(10-12)19-4/h7-10,14H,5-6,11H2,1-4H3
InChIKeyCYQRDEVYUMLGPZ-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.57
Rot. Bonds4

About 2,6-diethyl-6-(3-methoxyphenyl)-4-methylmorpholin-3-one

2,6-diethyl-6-(3-methoxyphenyl)-4-methylmorpholin-3-one (PubChem CID 70527440) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2,6-diethyl-6-(3-methoxyphenyl)-4-methylmorpholin-3-one.

Molecular Properties

Compound Name2,6-diethyl-6-(3-methoxyphenyl)-4-methylmorpholin-3-one
PubChem CID70527440
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2,6-diethyl-6-(3-methoxyphenyl)-4-methylmorpholin-3-one
SMILESCCC1OC(CC)(c2cccc(OC)c2)CN(C)C1=O
InChIInChI=1S/C16H23NO3/c1-5-14-15(18)17(3)11-16(6-2,20-14)12-8-7-9-13(10-12)19-4/h7-10,14H,5-6,11H2,1-4H3
InChIKeyCYQRDEVYUMLGPZ-UHFFFAOYSA-N
XLogP2.57
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-diethyl-6-(3-methoxyphenyl)-4-methylmorpholin-3-one?
The IUPAC name of 2,6-diethyl-6-(3-methoxyphenyl)-4-methylmorpholin-3-one (CID 70527440) is 2,6-diethyl-6-(3-methoxyphenyl)-4-methylmorpholin-3-one.
What is the SMILES notation for 2,6-diethyl-6-(3-methoxyphenyl)-4-methylmorpholin-3-one?
The canonical SMILES for 2,6-diethyl-6-(3-methoxyphenyl)-4-methylmorpholin-3-one is CCC1OC(CC)(c2cccc(OC)c2)CN(C)C1=O.
What is the InChIKey of 2,6-diethyl-6-(3-methoxyphenyl)-4-methylmorpholin-3-one?
The InChIKey is CYQRDEVYUMLGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-5-14-15(18)17(3)11-16(6-2,20-14)12-8-7-9-13(10-12)19-4/h7-10,14H,5-6,11H2,1-4H3.
What are the key properties of 2,6-diethyl-6-(3-methoxyphenyl)-4-methylmorpholin-3-one?
2,6-diethyl-6-(3-methoxyphenyl)-4-methylmorpholin-3-one has a molecular weight of 277.36 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethyl-6-(3-methoxyphenyl)-4-methylmorpholin-3-one is sourced from PubChem (CID 70527440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).