N-[(1S,2R)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]propyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide

C16H20F3N3O3 — CID 139267996

IUPACN-[(1S,2R)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]propyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide
SMILESCC1NC(=O)CC(C(=O)N[C@@H](c2ccc(C(F)(F)F)cc2)[C@@H](C)O)N1
InChIInChI=1S/C16H20F3N3O3/c1-8(23)14(10-3-5-11(6-4-10)16(17,18)19)22-15(25)12-7-13(24)21-9(2)20-12/h3-6,8-9,12,14,20,23H,7H2,1-2H3,(H,21,24)(H,22,25)/t8-,9?,12?,14-/m1/s1
InChIKeyJGYWOWXNKMGYET-SEBAULAISA-N
MW359.35 g/mol
LogP1.07
Rot. Bonds4

About N-[(1S,2R)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]propyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide

N-[(1S,2R)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]propyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide (PubChem CID 139267996) has the molecular formula C16H20F3N3O3 and a molecular weight of 359.35 g/mol. Its IUPAC name is N-[(1S,2R)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]propyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]propyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide
PubChem CID139267996
Molecular FormulaC16H20F3N3O3
Molecular Weight359.35 g/mol
Exact Mass359.15
IUPAC NameN-[(1S,2R)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]propyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide
SMILESCC1NC(=O)CC(C(=O)N[C@@H](c2ccc(C(F)(F)F)cc2)[C@@H](C)O)N1
InChIInChI=1S/C16H20F3N3O3/c1-8(23)14(10-3-5-11(6-4-10)16(17,18)19)22-15(25)12-7-13(24)21-9(2)20-12/h3-6,8-9,12,14,20,23H,7H2,1-2H3,(H,21,24)(H,22,25)/t8-,9?,12?,14-/m1/s1
InChIKeyJGYWOWXNKMGYET-SEBAULAISA-N
XLogP1.07
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 51.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-[(1S,2R)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]propyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide with MolForge

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Related Compounds

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CID 145996128
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CID 145996141
US10285989, Example 75
CID 145996156
US10285989, Example 76
CID 145996157
US10285989, Example 77
CID 145996158
US10285989, Example 106
CID 145996185
US10285989, Example 158
CID 145996228
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CID 145996240
US10285989, Example 200
CID 145996266
US10285989, Example 211
CID 145996277

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]propyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide?
The IUPAC name of N-[(1S,2R)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]propyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide (CID 139267996) is N-[(1S,2R)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]propyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide.
What is the SMILES notation for N-[(1S,2R)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]propyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide?
The canonical SMILES for N-[(1S,2R)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]propyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide is CC1NC(=O)CC(C(=O)N[C@@H](c2ccc(C(F)(F)F)cc2)[C@@H](C)O)N1.
What is the InChIKey of N-[(1S,2R)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]propyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide?
The InChIKey is JGYWOWXNKMGYET-SEBAULAISA-N. The full InChI is InChI=1S/C16H20F3N3O3/c1-8(23)14(10-3-5-11(6-4-10)16(17,18)19)22-15(25)12-7-13(24)21-9(2)20-12/h3-6,8-9,12,14,20,23H,7H2,1-2H3,(H,21,24)(H,22,25)/t8-,9?,12?,14-/m1/s1.
What are the key properties of N-[(1S,2R)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]propyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide?
N-[(1S,2R)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]propyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide has a molecular weight of 359.35 g/mol, XLogP of 1.07, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-hydroxy-1-[4-(trifluoromethyl)phenyl]propyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide is sourced from PubChem (CID 139267996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).