N-[[(2S)-4-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide

C23H34F3N3O5 — CID 92989507

IUPACN-[[(2S)-4-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
SMILESCOCCN(C[C@@H]1CN(C[C@H](O)CN2CCOCC2)CCO1)C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H34F3N3O5/c1-32-9-8-29(22(31)18-3-2-4-19(13-18)23(24,25)26)17-21-16-28(7-12-34-21)15-20(30)14-27-5-10-33-11-6-27/h2-4,13,20-21,30H,5-12,14-17H2,1H3/t20-,21+/m1/s1
InChIKeyWSUGRNBQNFOWCY-RTWAWAEBSA-N
MW489.54 g/mol
LogP1.19
Rot. Bonds10

About N-[[(2S)-4-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide

N-[[(2S)-4-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide (PubChem CID 92989507) has the molecular formula C23H34F3N3O5 and a molecular weight of 489.54 g/mol. Its IUPAC name is N-[[(2S)-4-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[(2S)-4-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
PubChem CID92989507
Molecular FormulaC23H34F3N3O5
Molecular Weight489.54 g/mol
Exact Mass489.25
IUPAC NameN-[[(2S)-4-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
SMILESCOCCN(C[C@@H]1CN(C[C@H](O)CN2CCOCC2)CCO1)C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H34F3N3O5/c1-32-9-8-29(22(31)18-3-2-4-19(13-18)23(24,25)26)17-21-16-28(7-12-34-21)15-20(30)14-27-5-10-33-11-6-27/h2-4,13,20-21,30H,5-12,14-17H2,1H3/t20-,21+/m1/s1
InChIKeyWSUGRNBQNFOWCY-RTWAWAEBSA-N
XLogP1.19
TPSA74.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.54
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[(2R)-4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
CID 98634512
N-[[(2R)-4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide
CID 99731711
N-[[(2S)-4-[(2-chlorophenyl)methyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
CID 92988777
N-[[(2S)-4-[(2S)-2-hydroxy-3-methoxypropyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 92984293
3-fluoro-N-[[4-(2-hydroxy-3-phenylpropyl)morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 46060194
3-fluoro-N-[[(2R)-4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide
CID 99729601
N-[[4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 46041392
N-[[(2S)-4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 92984292
N-[[(2S)-4-[(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 92984291
N-[[(2S)-4-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 92984280
N-[[4-(2-hydroxy-3-piperidin-1-ylpropyl)morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide
CID 46060169
N-[[(2S)-4-[(2R)-2-hydroxybutyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide
CID 92989417

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-4-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[[(2S)-4-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide (CID 92989507) is N-[[(2S)-4-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[(2S)-4-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[[(2S)-4-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide is COCCN(C[C@@H]1CN(C[C@H](O)CN2CCOCC2)CCO1)C(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[[(2S)-4-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide?
The InChIKey is WSUGRNBQNFOWCY-RTWAWAEBSA-N. The full InChI is InChI=1S/C23H34F3N3O5/c1-32-9-8-29(22(31)18-3-2-4-19(13-18)23(24,25)26)17-21-16-28(7-12-34-21)15-20(30)14-27-5-10-33-11-6-27/h2-4,13,20-21,30H,5-12,14-17H2,1H3/t20-,21+/m1/s1.
What are the key properties of N-[[(2S)-4-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide?
N-[[(2S)-4-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide has a molecular weight of 489.54 g/mol, XLogP of 1.19, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-4-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 92989507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).