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

C15H18F3N3O2 — CID 139267944

IUPAC2-methyl-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide
SMILESCC1NC(=O)CC(C(=O)N[C@H](C)c2ccc(C(F)(F)F)cc2)N1
InChIInChI=1S/C15H18F3N3O2/c1-8(10-3-5-11(6-4-10)15(16,17)18)19-14(23)12-7-13(22)21-9(2)20-12/h3-6,8-9,12,20H,7H2,1-2H3,(H,19,23)(H,21,22)/t8-,9?,12?/m1/s1
InChIKeyORIDMBQXPXLKDV-YDNLMGDJSA-N
MW329.32 g/mol
LogP1.71
Rot. Bonds3

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

2-methyl-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide (PubChem CID 139267944) has the molecular formula C15H18F3N3O2 and a molecular weight of 329.32 g/mol. Its IUPAC name is 2-methyl-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide.

Molecular Properties

Compound Name2-methyl-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide
PubChem CID139267944
Molecular FormulaC15H18F3N3O2
Molecular Weight329.32 g/mol
Exact Mass329.14
IUPAC Name2-methyl-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide
SMILESCC1NC(=O)CC(C(=O)N[C@H](C)c2ccc(C(F)(F)F)cc2)N1
InChIInChI=1S/C15H18F3N3O2/c1-8(10-3-5-11(6-4-10)15(16,17)18)19-14(23)12-7-13(22)21-9(2)20-12/h3-6,8-9,12,20H,7H2,1-2H3,(H,19,23)(H,21,22)/t8-,9?,12?/m1/s1
InChIKeyORIDMBQXPXLKDV-YDNLMGDJSA-N
XLogP1.71
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 139268193
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US9815796, Example 435
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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
US10285989, Example 41
CID 145996122

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide?
The IUPAC name of 2-methyl-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide (CID 139267944) is 2-methyl-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide.
What is the SMILES notation for 2-methyl-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide?
The canonical SMILES for 2-methyl-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide is CC1NC(=O)CC(C(=O)N[C@H](C)c2ccc(C(F)(F)F)cc2)N1.
What is the InChIKey of 2-methyl-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide?
The InChIKey is ORIDMBQXPXLKDV-YDNLMGDJSA-N. The full InChI is InChI=1S/C15H18F3N3O2/c1-8(10-3-5-11(6-4-10)15(16,17)18)19-14(23)12-7-13(22)21-9(2)20-12/h3-6,8-9,12,20H,7H2,1-2H3,(H,19,23)(H,21,22)/t8-,9?,12?/m1/s1.
What are the key properties of 2-methyl-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide?
2-methyl-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide has a molecular weight of 329.32 g/mol, XLogP of 1.71, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide is sourced from PubChem (CID 139267944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).