(2S,6R)-2-tert-butyl-6-phenylmorpholin-3-one

C14H19NO2 — CID 69328798

IUPAC(2S,6R)-2-tert-butyl-6-phenylmorpholin-3-one
SMILESCC(C)(C)[C@@H]1O[C@H](c2ccccc2)CNC1=O
InChIInChI=1S/C14H19NO2/c1-14(2,3)12-13(16)15-9-11(17-12)10-7-5-4-6-8-10/h4-8,11-12H,9H2,1-3H3,(H,15,16)/t11-,12+/m0/s1
InChIKeyUWTWLKLGTQMODG-NWDGAFQWSA-N
MW233.31 g/mol
LogP2.29
Rot. Bonds1

About (2S,6R)-2-tert-butyl-6-phenylmorpholin-3-one

(2S,6R)-2-tert-butyl-6-phenylmorpholin-3-one (PubChem CID 69328798) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (2S,6R)-2-tert-butyl-6-phenylmorpholin-3-one.

Molecular Properties

Compound Name(2S,6R)-2-tert-butyl-6-phenylmorpholin-3-one
PubChem CID69328798
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(2S,6R)-2-tert-butyl-6-phenylmorpholin-3-one
SMILESCC(C)(C)[C@@H]1O[C@H](c2ccccc2)CNC1=O
InChIInChI=1S/C14H19NO2/c1-14(2,3)12-13(16)15-9-11(17-12)10-7-5-4-6-8-10/h4-8,11-12H,9H2,1-3H3,(H,15,16)/t11-,12+/m0/s1
InChIKeyUWTWLKLGTQMODG-NWDGAFQWSA-N
XLogP2.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methylpropane;(5R)-5-phenyl-1,3-oxazolidin-2-one
CID 158495868
2,6-diphenylmorpholine
CID 43381979
(3S,6S)-3-tert-butyl-6-phenylpiperazine-2,5-dione
CID 131922882
(2S,6S)-2-methyl-6-phenylmorpholine
CID 36689632
(2R,6R)-6-methyl-2-phenyl-1-oxa-4-azacyclododec-8-ene-5,12-dione
CID 123607951
2,6-diphenyloxan-4-one
CID 500287
5-ethyl-3-phenylpiperazin-2-one
CID 82396570
6-tert-butyl-3-phenyl-1,2,4-trioxan-5-one
CID 15141436
5-phenyl-1,3-oxazolidine-2-thione
CID 10397377
(2R,5S)-2-phenyl-5-(trichloromethyl)-1,3-oxazolidin-4-one
CID 95561028
carbon dioxide;(3R,4S)-3-methyl-4-phenylpyrrolidin-2-one
CID 160728720
(1S,3R)-1-tert-butyl-3-phenyl-1,3-dihydro-2-benzofuran
CID 13213881

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2-tert-butyl-6-phenylmorpholin-3-one?
The IUPAC name of (2S,6R)-2-tert-butyl-6-phenylmorpholin-3-one (CID 69328798) is (2S,6R)-2-tert-butyl-6-phenylmorpholin-3-one.
What is the SMILES notation for (2S,6R)-2-tert-butyl-6-phenylmorpholin-3-one?
The canonical SMILES for (2S,6R)-2-tert-butyl-6-phenylmorpholin-3-one is CC(C)(C)[C@@H]1O[C@H](c2ccccc2)CNC1=O.
What is the InChIKey of (2S,6R)-2-tert-butyl-6-phenylmorpholin-3-one?
The InChIKey is UWTWLKLGTQMODG-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H19NO2/c1-14(2,3)12-13(16)15-9-11(17-12)10-7-5-4-6-8-10/h4-8,11-12H,9H2,1-3H3,(H,15,16)/t11-,12+/m0/s1.
What are the key properties of (2S,6R)-2-tert-butyl-6-phenylmorpholin-3-one?
(2S,6R)-2-tert-butyl-6-phenylmorpholin-3-one has a molecular weight of 233.31 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2-tert-butyl-6-phenylmorpholin-3-one is sourced from PubChem (CID 69328798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).