(3R,5R,6S)-3,4-dimethyl-5,6-diphenylmorpholin-2-one

C18H19NO2 — CID 167005616

IUPAC(3R,5R,6S)-3,4-dimethyl-5,6-diphenylmorpholin-2-one
SMILESC[C@@H]1C(=O)O[C@@H](c2ccccc2)[C@@H](c2ccccc2)N1C
InChIInChI=1S/C18H19NO2/c1-13-18(20)21-17(15-11-7-4-8-12-15)16(19(13)2)14-9-5-3-6-10-14/h3-13,16-17H,1-2H3/t13-,16-,17+/m1/s1
InChIKeyRBEURVOYPHYZBV-XYPHTWIQSA-N
MW281.36 g/mol
LogP3.35
Rot. Bonds2

About (3R,5R,6S)-3,4-dimethyl-5,6-diphenylmorpholin-2-one

(3R,5R,6S)-3,4-dimethyl-5,6-diphenylmorpholin-2-one (PubChem CID 167005616) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (3R,5R,6S)-3,4-dimethyl-5,6-diphenylmorpholin-2-one.

Molecular Properties

Compound Name(3R,5R,6S)-3,4-dimethyl-5,6-diphenylmorpholin-2-one
PubChem CID167005616
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name(3R,5R,6S)-3,4-dimethyl-5,6-diphenylmorpholin-2-one
SMILESC[C@@H]1C(=O)O[C@@H](c2ccccc2)[C@@H](c2ccccc2)N1C
InChIInChI=1S/C18H19NO2/c1-13-18(20)21-17(15-11-7-4-8-12-15)16(19(13)2)14-9-5-3-6-10-14/h3-13,16-17H,1-2H3/t13-,16-,17+/m1/s1
InChIKeyRBEURVOYPHYZBV-XYPHTWIQSA-N
XLogP3.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
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 ≤ 103

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Related Compounds

(5R,6S)-4-methyl-5,6-diphenylmorpholin-2-one
CID 54194620
(3R,4R,5S)-3,4-dimethyl-5-phenyloxolan-2-one
CID 101000241
1,4-diphenyl-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione
CID 13310359
(4R,5S)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-one
CID 58484806
N'-[(Z)-4-fluoro-5-(4-methyl-2-oxo-5,6-diphenylmorpholin-3-yl)pent-3-enyl]ethanimidamide
CID 59883068
(2S)-4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylic acid
CID 175451609
1,5-dimethyl-4-phenyl-3-propan-2-ylimidazolidin-2-one
CID 20685332
(3S,4S)-4-hydroxy-2-methyl-3-phenyl-1,2-oxazolidin-5-one
CID 130977904
(1R,2R,4S,5S,6S,8R)-3-methyl-2,4,6,8-tetraphenyl-3-azabicyclo[3.3.1]nonan-9-one
CID 98127168
2-methyl-1,3,5-triphenyl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione
CID 15019688
(3R,4R)-3-fluoro-1-methyl-4-phenylazetidin-2-one
CID 14984605
(4R,5S)-3-[(1S,2R)-2-fluorocyclopropyl]-4,5-diphenyl-1,3-oxazolidin-2-one
CID 14919305

Frequently Asked Questions

What is the IUPAC name of (3R,5R,6S)-3,4-dimethyl-5,6-diphenylmorpholin-2-one?
The IUPAC name of (3R,5R,6S)-3,4-dimethyl-5,6-diphenylmorpholin-2-one (CID 167005616) is (3R,5R,6S)-3,4-dimethyl-5,6-diphenylmorpholin-2-one.
What is the SMILES notation for (3R,5R,6S)-3,4-dimethyl-5,6-diphenylmorpholin-2-one?
The canonical SMILES for (3R,5R,6S)-3,4-dimethyl-5,6-diphenylmorpholin-2-one is C[C@@H]1C(=O)O[C@@H](c2ccccc2)[C@@H](c2ccccc2)N1C.
What is the InChIKey of (3R,5R,6S)-3,4-dimethyl-5,6-diphenylmorpholin-2-one?
The InChIKey is RBEURVOYPHYZBV-XYPHTWIQSA-N. The full InChI is InChI=1S/C18H19NO2/c1-13-18(20)21-17(15-11-7-4-8-12-15)16(19(13)2)14-9-5-3-6-10-14/h3-13,16-17H,1-2H3/t13-,16-,17+/m1/s1.
What are the key properties of (3R,5R,6S)-3,4-dimethyl-5,6-diphenylmorpholin-2-one?
(3R,5R,6S)-3,4-dimethyl-5,6-diphenylmorpholin-2-one has a molecular weight of 281.36 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R,6S)-3,4-dimethyl-5,6-diphenylmorpholin-2-one is sourced from PubChem (CID 167005616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).