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

C19H26F3N3O2 — CID 139267992

IUPACN-[(1R)-2,2-dimethyl-1-[4-(2,2,2-trifluoroethyl)phenyl]propyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide
SMILESCC1NC(=O)CC(C(=O)N[C@@H](c2ccc(CC(F)(F)F)cc2)C(C)(C)C)N1
InChIInChI=1S/C19H26F3N3O2/c1-11-23-14(9-15(26)24-11)17(27)25-16(18(2,3)4)13-7-5-12(6-8-13)10-19(20,21)22/h5-8,11,14,16,23H,9-10H2,1-4H3,(H,24,26)(H,25,27)/t11?,14?,16-/m0/s1
InChIKeyYGSNLENUHLTUIE-INORYPFCSA-N
MW385.43 g/mol
LogP2.82
Rot. Bonds4

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

N-[(1R)-2,2-dimethyl-1-[4-(2,2,2-trifluoroethyl)phenyl]propyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide (PubChem CID 139267992) has the molecular formula C19H26F3N3O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is N-[(1R)-2,2-dimethyl-1-[4-(2,2,2-trifluoroethyl)phenyl]propyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2,2-dimethyl-1-[4-(2,2,2-trifluoroethyl)phenyl]propyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide
PubChem CID139267992
Molecular FormulaC19H26F3N3O2
Molecular Weight385.43 g/mol
Exact Mass385.20
IUPAC NameN-[(1R)-2,2-dimethyl-1-[4-(2,2,2-trifluoroethyl)phenyl]propyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide
SMILESCC1NC(=O)CC(C(=O)N[C@@H](c2ccc(CC(F)(F)F)cc2)C(C)(C)C)N1
InChIInChI=1S/C19H26F3N3O2/c1-11-23-14(9-15(26)24-11)17(27)25-16(18(2,3)4)13-7-5-12(6-8-13)10-19(20,21)22/h5-8,11,14,16,23H,9-10H2,1-4H3,(H,24,26)(H,25,27)/t11?,14?,16-/m0/s1
InChIKeyYGSNLENUHLTUIE-INORYPFCSA-N
XLogP2.82
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 24817458
US9815796, Example 262
CID 139268193
US9815796, Example 337
CID 139268261
US9815796, Example 435
CID 139268358
US9815796, Example 439
CID 139268362
US10285989, Example 1
CID 145996093
US10285989, Example 2
CID 145996094
US10285989, Example 26
CID 145996108
US10285989, Example 31
CID 145996112
US10285989, Example 37
CID 145996118
US10285989, Example 38
CID 145996119
US10285989, Example 40
CID 145996121

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2,2-dimethyl-1-[4-(2,2,2-trifluoroethyl)phenyl]propyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide?
The IUPAC name of N-[(1R)-2,2-dimethyl-1-[4-(2,2,2-trifluoroethyl)phenyl]propyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide (CID 139267992) is N-[(1R)-2,2-dimethyl-1-[4-(2,2,2-trifluoroethyl)phenyl]propyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide.
What is the SMILES notation for N-[(1R)-2,2-dimethyl-1-[4-(2,2,2-trifluoroethyl)phenyl]propyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide?
The canonical SMILES for N-[(1R)-2,2-dimethyl-1-[4-(2,2,2-trifluoroethyl)phenyl]propyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide is CC1NC(=O)CC(C(=O)N[C@@H](c2ccc(CC(F)(F)F)cc2)C(C)(C)C)N1.
What is the InChIKey of N-[(1R)-2,2-dimethyl-1-[4-(2,2,2-trifluoroethyl)phenyl]propyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide?
The InChIKey is YGSNLENUHLTUIE-INORYPFCSA-N. The full InChI is InChI=1S/C19H26F3N3O2/c1-11-23-14(9-15(26)24-11)17(27)25-16(18(2,3)4)13-7-5-12(6-8-13)10-19(20,21)22/h5-8,11,14,16,23H,9-10H2,1-4H3,(H,24,26)(H,25,27)/t11?,14?,16-/m0/s1.
What are the key properties of N-[(1R)-2,2-dimethyl-1-[4-(2,2,2-trifluoroethyl)phenyl]propyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide?
N-[(1R)-2,2-dimethyl-1-[4-(2,2,2-trifluoroethyl)phenyl]propyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide has a molecular weight of 385.43 g/mol, XLogP of 2.82, 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-(2,2,2-trifluoroethyl)phenyl]propyl]-2-methyl-6-oxo-1,3-diazinane-4-carboxamide is sourced from PubChem (CID 139267992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).