(2R,3S,5R,6S)-3,4-dimethyl-2-phenyl-5,6-bis[(E)-2-phenylethenyl]morpholine

C28H29NO — CID 11349970

IUPAC(2R,3S,5R,6S)-3,4-dimethyl-2-phenyl-5,6-bis[(E)-2-phenylethenyl]morpholine
SMILESC[C@H]1[C@@H](c2ccccc2)O[C@@H](/C=C/c2ccccc2)[C@@H](/C=C/c2ccccc2)N1C
InChIInChI=1S/C28H29NO/c1-22-28(25-16-10-5-11-17-25)30-27(21-19-24-14-8-4-9-15-24)26(29(22)2)20-18-23-12-6-3-7-13-23/h3-22,26-28H,1-2H3/b20-18+,21-19+/t22-,26+,27-,28-/m0/s1
InChIKeyNXIWXXWNCKRRJX-NDGSWSFESA-N
MW395.55 g/mol
LogP6.24
Rot. Bonds5

About (2R,3S,5R,6S)-3,4-dimethyl-2-phenyl-5,6-bis[(E)-2-phenylethenyl]morpholine

(2R,3S,5R,6S)-3,4-dimethyl-2-phenyl-5,6-bis[(E)-2-phenylethenyl]morpholine (PubChem CID 11349970) has the molecular formula C28H29NO and a molecular weight of 395.55 g/mol. Its IUPAC name is (2R,3S,5R,6S)-3,4-dimethyl-2-phenyl-5,6-bis[(E)-2-phenylethenyl]morpholine.

Molecular Properties

Compound Name(2R,3S,5R,6S)-3,4-dimethyl-2-phenyl-5,6-bis[(E)-2-phenylethenyl]morpholine
PubChem CID11349970
Molecular FormulaC28H29NO
Molecular Weight395.55 g/mol
Exact Mass395.22
IUPAC Name(2R,3S,5R,6S)-3,4-dimethyl-2-phenyl-5,6-bis[(E)-2-phenylethenyl]morpholine
SMILESC[C@H]1[C@@H](c2ccccc2)O[C@@H](/C=C/c2ccccc2)[C@@H](/C=C/c2ccccc2)N1C
InChIInChI=1S/C28H29NO/c1-22-28(25-16-10-5-11-17-25)30-27(21-19-24-14-8-4-9-15-24)26(29(22)2)20-18-23-12-6-3-7-13-23/h3-22,26-28H,1-2H3/b20-18+,21-19+/t22-,26+,27-,28-/m0/s1
InChIKeyNXIWXXWNCKRRJX-NDGSWSFESA-N
XLogP6.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.55
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2R,3S,5R,6S)-3,4-dimethyl-2-phenyl-5,6-bis[(E)-2-phenylethenyl]morpholine with MolForge

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Related Compounds

2-[(4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]ethanol
CID 102331412
(4S,4aS,5S,8aS)-3,5,8-trimethyl-4-[(E)-2-phenylethenyl]-1,4,4a,5,6,8a-hexahydropyrimido[4,5-d]pyrimidine-2,7-dione
CID 11872621
(2R,3S)-3-phenyl-2-[(E)-2-phenylethenyl]-1-propylpyrrolidine
CID 67894847
2-[(2R,4R,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]phenol
CID 932898
(2R,3R,4S,5S,6S)-2,3,5-trimethyl-6-[(E)-2-phenylethenyl]oxan-4-ol
CID 130359473
(2S,4S,5S)-2-(2-bromophenyl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine
CID 57282444
(2R,3R)-2-[(E)-2-(3-chlorophenyl)ethenyl]-1-methyl-3-phenylpyrrolidine
CID 18632070
(2S,4S,5R)-2-(1H-imidazol-2-yl)-3,4-dimethyl-5-phenyl-1,3-oxazolidine
CID 100919390
4-(3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl)-N,N-dimethylaniline
CID 74028862
(3R,4R)-3-methyl-2,2,2-triphenyl-4-[(E)-2-phenylethenyl]-1,2λ5-oxaphosphetane
CID 134876536
(4R,5S,6R)-2,2,4,5-tetramethyl-6-[(E)-2-phenylethenyl]-1,3-dioxane
CID 11673198
(1R,2S,3S,5S)-8-methyl-3-phenyl-2-[(E)-2-phenylethenyl]-8-azabicyclo[3.2.1]octane
CID 101231102

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R,6S)-3,4-dimethyl-2-phenyl-5,6-bis[(E)-2-phenylethenyl]morpholine?
The IUPAC name of (2R,3S,5R,6S)-3,4-dimethyl-2-phenyl-5,6-bis[(E)-2-phenylethenyl]morpholine (CID 11349970) is (2R,3S,5R,6S)-3,4-dimethyl-2-phenyl-5,6-bis[(E)-2-phenylethenyl]morpholine.
What is the SMILES notation for (2R,3S,5R,6S)-3,4-dimethyl-2-phenyl-5,6-bis[(E)-2-phenylethenyl]morpholine?
The canonical SMILES for (2R,3S,5R,6S)-3,4-dimethyl-2-phenyl-5,6-bis[(E)-2-phenylethenyl]morpholine is C[C@H]1[C@@H](c2ccccc2)O[C@@H](/C=C/c2ccccc2)[C@@H](/C=C/c2ccccc2)N1C.
What is the InChIKey of (2R,3S,5R,6S)-3,4-dimethyl-2-phenyl-5,6-bis[(E)-2-phenylethenyl]morpholine?
The InChIKey is NXIWXXWNCKRRJX-NDGSWSFESA-N. The full InChI is InChI=1S/C28H29NO/c1-22-28(25-16-10-5-11-17-25)30-27(21-19-24-14-8-4-9-15-24)26(29(22)2)20-18-23-12-6-3-7-13-23/h3-22,26-28H,1-2H3/b20-18+,21-19+/t22-,26+,27-,28-/m0/s1.
What are the key properties of (2R,3S,5R,6S)-3,4-dimethyl-2-phenyl-5,6-bis[(E)-2-phenylethenyl]morpholine?
(2R,3S,5R,6S)-3,4-dimethyl-2-phenyl-5,6-bis[(E)-2-phenylethenyl]morpholine has a molecular weight of 395.55 g/mol, XLogP of 6.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R,6S)-3,4-dimethyl-2-phenyl-5,6-bis[(E)-2-phenylethenyl]morpholine is sourced from PubChem (CID 11349970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).