3-hydroxy-N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]-5-(morpholin-4-ylmethyl)benzamide

C23H26F3N3O5 — CID 6667380

IUPAC3-hydroxy-N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]-5-(morpholin-4-ylmethyl)benzamide
SMILESO=C(N[C@@H](CO)C(=O)NCc1ccc(C(F)(F)F)cc1)c1cc(O)cc(CN2CCOCC2)c1
InChIInChI=1S/C23H26F3N3O5/c24-23(25,26)18-3-1-15(2-4-18)12-27-22(33)20(14-30)28-21(32)17-9-16(10-19(31)11-17)13-29-5-7-34-8-6-29/h1-4,9-11,20,30-31H,5-8,12-14H2,(H,27,33)(H,28,32)/t20-/m0/s1
InChIKeyJYQITFRMFNPPSE-FQEVSTJZSA-N
MW481.47 g/mol
LogP1.65
Rot. Bonds8

About 3-hydroxy-N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]-5-(morpholin-4-ylmethyl)benzamide

3-hydroxy-N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]-5-(morpholin-4-ylmethyl)benzamide (PubChem CID 6667380) has the molecular formula C23H26F3N3O5 and a molecular weight of 481.47 g/mol. Its IUPAC name is 3-hydroxy-N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]-5-(morpholin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name3-hydroxy-N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]-5-(morpholin-4-ylmethyl)benzamide
PubChem CID6667380
Molecular FormulaC23H26F3N3O5
Molecular Weight481.47 g/mol
Exact Mass481.18
IUPAC Name3-hydroxy-N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]-5-(morpholin-4-ylmethyl)benzamide
SMILESO=C(N[C@@H](CO)C(=O)NCc1ccc(C(F)(F)F)cc1)c1cc(O)cc(CN2CCOCC2)c1
InChIInChI=1S/C23H26F3N3O5/c24-23(25,26)18-3-1-15(2-4-18)12-27-22(33)20(14-30)28-21(32)17-9-16(10-19(31)11-17)13-29-5-7-34-8-6-29/h1-4,9-11,20,30-31H,5-8,12-14H2,(H,27,33)(H,28,32)/t20-/m0/s1
InChIKeyJYQITFRMFNPPSE-FQEVSTJZSA-N
XLogP1.65
TPSA111.13 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.47
LogP ≤ 51.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide
CID 6724169
N-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]-3-hydroxy-5-(morpholin-4-ylmethyl)benzamide
CID 4160067
N-[(2S)-1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]-3-hydroxy-5-(morpholin-4-ylmethyl)benzamide
CID 6667457
3-hydroxy-N-[(2S)-3-hydroxy-1-oxo-1-[(5-phenyl-1H-pyrazol-3-yl)amino]propan-2-yl]-5-(morpholin-4-ylmethyl)benzamide
CID 6723161
N-[(2S)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]-4-[4-(trifluoromethyl)phenyl]benzamide
CID 6723660
N-[(2S)-3-hydroxy-1-(morpholin-4-ylamino)-1-oxopropan-2-yl]-4-[4-(trifluoromethyl)phenyl]benzamide
CID 6723634
4-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2211000
N-[4-(morpholin-4-ylmethyl)phenyl]-4-(trifluoromethyl)benzamide
CID 108731001
N-[3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]-1H-indole-2-carboxamide
CID 3618443
N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]quinoline-2-carboxamide
CID 6723979
2-hydroxy-3-[5-(morpholin-4-ylmethyl)-2-pyridinyl]-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-indole-5-carboxamide;hydrochloride
CID 135514495
N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
CID 6722835

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]-5-(morpholin-4-ylmethyl)benzamide?
The IUPAC name of 3-hydroxy-N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]-5-(morpholin-4-ylmethyl)benzamide (CID 6667380) is 3-hydroxy-N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]-5-(morpholin-4-ylmethyl)benzamide.
What is the SMILES notation for 3-hydroxy-N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]-5-(morpholin-4-ylmethyl)benzamide?
The canonical SMILES for 3-hydroxy-N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]-5-(morpholin-4-ylmethyl)benzamide is O=C(N[C@@H](CO)C(=O)NCc1ccc(C(F)(F)F)cc1)c1cc(O)cc(CN2CCOCC2)c1.
What is the InChIKey of 3-hydroxy-N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]-5-(morpholin-4-ylmethyl)benzamide?
The InChIKey is JYQITFRMFNPPSE-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H26F3N3O5/c24-23(25,26)18-3-1-15(2-4-18)12-27-22(33)20(14-30)28-21(32)17-9-16(10-19(31)11-17)13-29-5-7-34-8-6-29/h1-4,9-11,20,30-31H,5-8,12-14H2,(H,27,33)(H,28,32)/t20-/m0/s1.
What are the key properties of 3-hydroxy-N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]-5-(morpholin-4-ylmethyl)benzamide?
3-hydroxy-N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]-5-(morpholin-4-ylmethyl)benzamide has a molecular weight of 481.47 g/mol, XLogP of 1.65, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(2S)-3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]-5-(morpholin-4-ylmethyl)benzamide is sourced from PubChem (CID 6667380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).