4-methyl-5,6-diphenylmorpholin-2-one;(3R)-4-methyl-5,6-diphenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]morpholin-2-one

C42H39F3N2O5 — CID 90795963

IUPAC4-methyl-5,6-diphenylmorpholin-2-one;(3R)-4-methyl-5,6-diphenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]morpholin-2-one
SMILESCN1C(c2ccccc2)C(c2ccccc2)OC(=O)[C@H]1Cc1ccc(OC(F)(F)F)cc1.CN1CC(=O)OC(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C25H22F3NO3.C17H17NO2/c1-29-21(16-17-12-14-20(15-13-17)32-25(26,27)28)24(30)31-23(19-10-6-3-7-11-19)22(29)18-8-4-2-5-9-18;1-18-12-15(19)20-17(14-10-6-3-7-11-14)16(18)13-8-4-2-5-9-13/h2-15,21-23H,16H2,1H3;2-11,16-17H,12H2,1H3/t21-,22?,23?;/m1./s1
InChIKeyGPETXXWTTYKXGK-SAVKUDRMSA-N
MW708.78 g/mol
LogP8.43
Rot. Bonds7

About 4-methyl-5,6-diphenylmorpholin-2-one;(3R)-4-methyl-5,6-diphenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]morpholin-2-one

4-methyl-5,6-diphenylmorpholin-2-one;(3R)-4-methyl-5,6-diphenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]morpholin-2-one (PubChem CID 90795963) has the molecular formula C42H39F3N2O5 and a molecular weight of 708.78 g/mol. Its IUPAC name is 4-methyl-5,6-diphenylmorpholin-2-one;(3R)-4-methyl-5,6-diphenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]morpholin-2-one.

Molecular Properties

Compound Name4-methyl-5,6-diphenylmorpholin-2-one;(3R)-4-methyl-5,6-diphenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]morpholin-2-one
PubChem CID90795963
Molecular FormulaC42H39F3N2O5
Molecular Weight708.78 g/mol
Exact Mass708.28
IUPAC Name4-methyl-5,6-diphenylmorpholin-2-one;(3R)-4-methyl-5,6-diphenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]morpholin-2-one
SMILESCN1C(c2ccccc2)C(c2ccccc2)OC(=O)[C@H]1Cc1ccc(OC(F)(F)F)cc1.CN1CC(=O)OC(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C25H22F3NO3.C17H17NO2/c1-29-21(16-17-12-14-20(15-13-17)32-25(26,27)28)24(30)31-23(19-10-6-3-7-11-19)22(29)18-8-4-2-5-9-18;1-18-12-15(19)20-17(14-10-6-3-7-11-14)16(18)13-8-4-2-5-9-13/h2-15,21-23H,16H2,1H3;2-11,16-17H,12H2,1H3/t21-,22?,23?;/m1./s1
InChIKeyGPETXXWTTYKXGK-SAVKUDRMSA-N
XLogP8.43
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.78
LogP ≤ 58.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

[(3R)-1-[2-(4-methylphenoxy)ethyl]-1-azoniabicyclo[2.2.2]octan-3-yl] (2S)-2-phenyl-2-piperidin-1-ylpropanoate
CID 57394233
[(3R)-1-[2-(4-fluorophenoxy)ethyl]-1-azoniabicyclo[2.2.2]octan-3-yl] (2S)-2-phenyl-2-piperidin-1-ylpropanoate
CID 57397747
(S)-6-Amino-2-[bis-(4-benzyloxy-benzyl)-amino]-hexanoic acid methyl ester
CID 44302942
[2-[4-[(4-Methoxyphenyl)methyl]piperazin-1-yl]-1,2-diphenylethyl] propanoate;hydrochloride
CID 90668404
Methyl 2-(dibenzylamino)-3-(3-fluoro-4-methoxyphenyl)propanoate
CID 71489919
(3R,5R)-4-benzyl-5-phenyl-3-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]morpholin-2-one
CID 101786888
Methyl 2-morpholin-4-yl-2-[4-(trifluoromethoxy)phenyl]acetate
CID 102460174
4-Methyl-5,6-diphenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]morpholin-2-one
CID 22949121
2-(R)-(3-(S)-((4-(3,3-Difluoro-3-phenylpropyl)piperidin-1-yl)methyl)-4-(S)-phenylpyrrolidin-1-yl)-2-(cyclohexyl)acetic acid (4-methoxy)benzyl ester
CID 57236775
1-O-benzyl 2-O-methyl (2R,6S)-6-[4-[(2-fluorophenyl)methoxy]phenyl]piperidine-1,2-dicarboxylate
CID 59468935
1-O-benzyl 2-O-methyl (2S,6R)-6-[4-[(2-fluorophenyl)methoxy]phenyl]piperidine-1,2-dicarboxylate
CID 59468943
(3R)-4-methyl-5,6-diphenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]morpholin-2-one
CID 59875592

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5,6-diphenylmorpholin-2-one;(3R)-4-methyl-5,6-diphenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]morpholin-2-one?
The IUPAC name of 4-methyl-5,6-diphenylmorpholin-2-one;(3R)-4-methyl-5,6-diphenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]morpholin-2-one (CID 90795963) is 4-methyl-5,6-diphenylmorpholin-2-one;(3R)-4-methyl-5,6-diphenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]morpholin-2-one.
What is the SMILES notation for 4-methyl-5,6-diphenylmorpholin-2-one;(3R)-4-methyl-5,6-diphenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]morpholin-2-one?
The canonical SMILES for 4-methyl-5,6-diphenylmorpholin-2-one;(3R)-4-methyl-5,6-diphenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]morpholin-2-one is CN1C(c2ccccc2)C(c2ccccc2)OC(=O)[C@H]1Cc1ccc(OC(F)(F)F)cc1.CN1CC(=O)OC(c2ccccc2)C1c1ccccc1.
What is the InChIKey of 4-methyl-5,6-diphenylmorpholin-2-one;(3R)-4-methyl-5,6-diphenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]morpholin-2-one?
The InChIKey is GPETXXWTTYKXGK-SAVKUDRMSA-N. The full InChI is InChI=1S/C25H22F3NO3.C17H17NO2/c1-29-21(16-17-12-14-20(15-13-17)32-25(26,27)28)24(30)31-23(19-10-6-3-7-11-19)22(29)18-8-4-2-5-9-18;1-18-12-15(19)20-17(14-10-6-3-7-11-14)16(18)13-8-4-2-5-9-13/h2-15,21-23H,16H2,1H3;2-11,16-17H,12H2,1H3/t21-,22?,23?;/m1./s1.
What are the key properties of 4-methyl-5,6-diphenylmorpholin-2-one;(3R)-4-methyl-5,6-diphenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]morpholin-2-one?
4-methyl-5,6-diphenylmorpholin-2-one;(3R)-4-methyl-5,6-diphenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]morpholin-2-one has a molecular weight of 708.78 g/mol, XLogP of 8.43, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5,6-diphenylmorpholin-2-one;(3R)-4-methyl-5,6-diphenyl-3-[[4-(trifluoromethoxy)phenyl]methyl]morpholin-2-one is sourced from PubChem (CID 90795963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).