4,5-dimethyl-2,6-diphenylmorpholin-3-one

C18H19NO2 — CID 154186686

IUPAC4,5-dimethyl-2,6-diphenylmorpholin-3-one
SMILESCC1C(c2ccccc2)OC(c2ccccc2)C(=O)N1C
InChIInChI=1S/C18H19NO2/c1-13-16(14-9-5-3-6-10-14)21-17(18(20)19(13)2)15-11-7-4-8-12-15/h3-13,16-17H,1-2H3
InChIKeyCDZDWTNXBWJHFL-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.35
Rot. Bonds2

About 4,5-dimethyl-2,6-diphenylmorpholin-3-one

4,5-dimethyl-2,6-diphenylmorpholin-3-one (PubChem CID 154186686) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4,5-dimethyl-2,6-diphenylmorpholin-3-one.

Molecular Properties

Compound Name4,5-dimethyl-2,6-diphenylmorpholin-3-one
PubChem CID154186686
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name4,5-dimethyl-2,6-diphenylmorpholin-3-one
SMILESCC1C(c2ccccc2)OC(c2ccccc2)C(=O)N1C
InChIInChI=1S/C18H19NO2/c1-13-16(14-9-5-3-6-10-14)21-17(18(20)19(13)2)15-11-7-4-8-12-15/h3-13,16-17H,1-2H3
InChIKeyCDZDWTNXBWJHFL-UHFFFAOYSA-N
XLogP3.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2,6-diphenylmorpholin-3-one?
The IUPAC name of 4,5-dimethyl-2,6-diphenylmorpholin-3-one (CID 154186686) is 4,5-dimethyl-2,6-diphenylmorpholin-3-one.
What is the SMILES notation for 4,5-dimethyl-2,6-diphenylmorpholin-3-one?
The canonical SMILES for 4,5-dimethyl-2,6-diphenylmorpholin-3-one is CC1C(c2ccccc2)OC(c2ccccc2)C(=O)N1C.
What is the InChIKey of 4,5-dimethyl-2,6-diphenylmorpholin-3-one?
The InChIKey is CDZDWTNXBWJHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-13-16(14-9-5-3-6-10-14)21-17(18(20)19(13)2)15-11-7-4-8-12-15/h3-13,16-17H,1-2H3.
What are the key properties of 4,5-dimethyl-2,6-diphenylmorpholin-3-one?
4,5-dimethyl-2,6-diphenylmorpholin-3-one has a molecular weight of 281.36 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2,6-diphenylmorpholin-3-one is sourced from PubChem (CID 154186686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).