(2S,5R,6S)-2-benzyl-4-(methoxymethyl)-5-methyl-6-phenylmorpholin-3-one

C20H23NO3 — CID 10544050

IUPAC(2S,5R,6S)-2-benzyl-4-(methoxymethyl)-5-methyl-6-phenylmorpholin-3-one
SMILESCOCN1C(=O)[C@H](Cc2ccccc2)O[C@@H](c2ccccc2)[C@H]1C
InChIInChI=1S/C20H23NO3/c1-15-19(17-11-7-4-8-12-17)24-18(20(22)21(15)14-23-2)13-16-9-5-3-6-10-16/h3-12,15,18-19H,13-14H2,1-2H3/t15-,18+,19-/m1/s1
InChIKeyVMHQHUOETPUNCR-AYOQOUSVSA-N
MW325.41 g/mol
LogP3.19
Rot. Bonds5

About (2S,5R,6S)-2-benzyl-4-(methoxymethyl)-5-methyl-6-phenylmorpholin-3-one

(2S,5R,6S)-2-benzyl-4-(methoxymethyl)-5-methyl-6-phenylmorpholin-3-one (PubChem CID 10544050) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is (2S,5R,6S)-2-benzyl-4-(methoxymethyl)-5-methyl-6-phenylmorpholin-3-one.

Molecular Properties

Compound Name(2S,5R,6S)-2-benzyl-4-(methoxymethyl)-5-methyl-6-phenylmorpholin-3-one
PubChem CID10544050
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name(2S,5R,6S)-2-benzyl-4-(methoxymethyl)-5-methyl-6-phenylmorpholin-3-one
SMILESCOCN1C(=O)[C@H](Cc2ccccc2)O[C@@H](c2ccccc2)[C@H]1C
InChIInChI=1S/C20H23NO3/c1-15-19(17-11-7-4-8-12-17)24-18(20(22)21(15)14-23-2)13-16-9-5-3-6-10-16/h3-12,15,18-19H,13-14H2,1-2H3/t15-,18+,19-/m1/s1
InChIKeyVMHQHUOETPUNCR-AYOQOUSVSA-N
XLogP3.19
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Fenbutrazate
CID 20395
Carbiphene
CID 10080
1,3-Diphenyl-1-propyl-1-(3,3-dimethyl-1,2-dioxypentyl)-2-piperidine carboxylate
CID 445644
(2s,5r,6s)-2-Benzyl-5,6-Bis(4-Bromophenyl)-4-Methylmorpholin-3-One
CID 71305070
Benzeneacetamide, alpha-ethoxy-N-methyl-N-(2-(methyl(2-phenylethyl)amino)ethyl)-alpha-phenyl-, hydrochloride (1:1)
CID 10079
5-Methyl-6-phenyl-3-morpholinone
CID 21789
(2s,5r,6s)-2-Benzyl-5,6-Bis(4-Chlorophenyl)-4-Methylmorpholin-3-One
CID 71305071
1,3-Diphenylpropyl (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
CID 44338317
1-(3,3-Dimethyl-2-oxo-pentanoyl)-piperidine-2-carboxylic acid (R)-1,3-diphenyl-propyl ester
CID 44365490
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-phenylacetamide
CID 2870138
[2-(Cyclohexylamino)-1-(2-fluorophenyl)-2-oxoethyl] acetate
CID 3230480
[2-(Cyclohexylamino)-1-(3-fluorophenyl)-2-oxoethyl] acetate
CID 3230481

Frequently Asked Questions

What is the IUPAC name of (2S,5R,6S)-2-benzyl-4-(methoxymethyl)-5-methyl-6-phenylmorpholin-3-one?
The IUPAC name of (2S,5R,6S)-2-benzyl-4-(methoxymethyl)-5-methyl-6-phenylmorpholin-3-one (CID 10544050) is (2S,5R,6S)-2-benzyl-4-(methoxymethyl)-5-methyl-6-phenylmorpholin-3-one.
What is the SMILES notation for (2S,5R,6S)-2-benzyl-4-(methoxymethyl)-5-methyl-6-phenylmorpholin-3-one?
The canonical SMILES for (2S,5R,6S)-2-benzyl-4-(methoxymethyl)-5-methyl-6-phenylmorpholin-3-one is COCN1C(=O)[C@H](Cc2ccccc2)O[C@@H](c2ccccc2)[C@H]1C.
What is the InChIKey of (2S,5R,6S)-2-benzyl-4-(methoxymethyl)-5-methyl-6-phenylmorpholin-3-one?
The InChIKey is VMHQHUOETPUNCR-AYOQOUSVSA-N. The full InChI is InChI=1S/C20H23NO3/c1-15-19(17-11-7-4-8-12-17)24-18(20(22)21(15)14-23-2)13-16-9-5-3-6-10-16/h3-12,15,18-19H,13-14H2,1-2H3/t15-,18+,19-/m1/s1.
What are the key properties of (2S,5R,6S)-2-benzyl-4-(methoxymethyl)-5-methyl-6-phenylmorpholin-3-one?
(2S,5R,6S)-2-benzyl-4-(methoxymethyl)-5-methyl-6-phenylmorpholin-3-one has a molecular weight of 325.41 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R,6S)-2-benzyl-4-(methoxymethyl)-5-methyl-6-phenylmorpholin-3-one is sourced from PubChem (CID 10544050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).