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

C23H26F3N3O2 — CID 139268261

IUPACN-[(1R)-2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propyl]-6-oxo-2-phenyl-1,3-diazinane-4-carboxamide
SMILESCC(C)(C)[C@@H](NC(=O)C1CC(=O)NC(c2ccccc2)N1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H26F3N3O2/c1-22(2,3)19(14-9-11-16(12-10-14)23(24,25)26)29-21(31)17-13-18(30)28-20(27-17)15-7-5-4-6-8-15/h4-12,17,19-20,27H,13H2,1-3H3,(H,28,30)(H,29,31)/t17?,19-,20?/m0/s1
InChIKeyXLWVVXXPGBXHPO-SYYJFZTOSA-N
MW433.47 g/mol
LogP4.09
Rot. Bonds4

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

N-[(1R)-2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propyl]-6-oxo-2-phenyl-1,3-diazinane-4-carboxamide (PubChem CID 139268261) has the molecular formula C23H26F3N3O2 and a molecular weight of 433.47 g/mol. Its IUPAC name is N-[(1R)-2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propyl]-6-oxo-2-phenyl-1,3-diazinane-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propyl]-6-oxo-2-phenyl-1,3-diazinane-4-carboxamide
PubChem CID139268261
Molecular FormulaC23H26F3N3O2
Molecular Weight433.47 g/mol
Exact Mass433.20
IUPAC NameN-[(1R)-2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propyl]-6-oxo-2-phenyl-1,3-diazinane-4-carboxamide
SMILESCC(C)(C)[C@@H](NC(=O)C1CC(=O)NC(c2ccccc2)N1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H26F3N3O2/c1-22(2,3)19(14-9-11-16(12-10-14)23(24,25)26)29-21(31)17-13-18(30)28-20(27-17)15-7-5-4-6-8-15/h4-12,17,19-20,27H,13H2,1-3H3,(H,28,30)(H,29,31)/t17?,19-,20?/m0/s1
InChIKeyXLWVVXXPGBXHPO-SYYJFZTOSA-N
XLogP4.09
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propyl]-6-oxo-2-phenyl-1,3-diazinane-4-carboxamide?
The IUPAC name of N-[(1R)-2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propyl]-6-oxo-2-phenyl-1,3-diazinane-4-carboxamide (CID 139268261) is N-[(1R)-2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propyl]-6-oxo-2-phenyl-1,3-diazinane-4-carboxamide.
What is the SMILES notation for N-[(1R)-2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propyl]-6-oxo-2-phenyl-1,3-diazinane-4-carboxamide?
The canonical SMILES for N-[(1R)-2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propyl]-6-oxo-2-phenyl-1,3-diazinane-4-carboxamide is CC(C)(C)[C@@H](NC(=O)C1CC(=O)NC(c2ccccc2)N1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(1R)-2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propyl]-6-oxo-2-phenyl-1,3-diazinane-4-carboxamide?
The InChIKey is XLWVVXXPGBXHPO-SYYJFZTOSA-N. The full InChI is InChI=1S/C23H26F3N3O2/c1-22(2,3)19(14-9-11-16(12-10-14)23(24,25)26)29-21(31)17-13-18(30)28-20(27-17)15-7-5-4-6-8-15/h4-12,17,19-20,27H,13H2,1-3H3,(H,28,30)(H,29,31)/t17?,19-,20?/m0/s1.
What are the key properties of N-[(1R)-2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propyl]-6-oxo-2-phenyl-1,3-diazinane-4-carboxamide?
N-[(1R)-2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propyl]-6-oxo-2-phenyl-1,3-diazinane-4-carboxamide has a molecular weight of 433.47 g/mol, XLogP of 4.09, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propyl]-6-oxo-2-phenyl-1,3-diazinane-4-carboxamide is sourced from PubChem (CID 139268261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).