2,5-di(cyclobutyl)-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide

C22H28F3N3O2 — CID 139268259

About 2,5-di(cyclobutyl)-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide

2,5-di(cyclobutyl)-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide (PubChem CID 139268259) has the molecular formula C22H28F3N3O2 and a molecular weight of 423.48 g/mol. Its IUPAC name is 2,5-di(cyclobutyl)-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide.

Molecular Properties

• Compound Name: 2,5-di(cyclobutyl)-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide
• PubChem CID: 139268259
• Molecular Formula: C22H28F3N3O2
• Molecular Weight: 423.48 g/mol
• Exact Mass: 423.21
• IUPAC Name: 2,5-di(cyclobutyl)-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide
• SMILES: C[C@@H](NC(=O)C1NC(C2CCC2)NC(=O)C1C1CCC1)c1ccc(C(F)(F)F)cc1
• InChI: InChI=1S/C22H28F3N3O2/c1-12(13-8-10-16(11-9-13)22(23,24)25)26-21(30)18-17(14-4-2-5-14)20(29)28-19(27-18)15-6-3-7-15/h8-12,14-15,17-19,27H,2-7H2,1H3,(H,26,30)(H,28,29)/t12-,17?,18?,19?/m1/s1
• InChIKey: PZBJQHJGISOUFC-MASHEYIKSA-N
• XLogP: 3.51
• TPSA: 70.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.48
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2,5-di(cyclobutyl)-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide?

The IUPAC name of 2,5-di(cyclobutyl)-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide (CID 139268259) is 2,5-di(cyclobutyl)-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide.

What is the SMILES notation for 2,5-di(cyclobutyl)-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide?

The canonical SMILES for 2,5-di(cyclobutyl)-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide is C[C@@H](NC(=O)C1NC(C2CCC2)NC(=O)C1C1CCC1)c1ccc(C(F)(F)F)cc1.

What is the InChIKey of 2,5-di(cyclobutyl)-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide?

The InChIKey is PZBJQHJGISOUFC-MASHEYIKSA-N. The full InChI is InChI=1S/C22H28F3N3O2/c1-12(13-8-10-16(11-9-13)22(23,24)25)26-21(30)18-17(14-4-2-5-14)20(29)28-19(27-18)15-6-3-7-15/h8-12,14-15,17-19,27H,2-7H2,1H3,(H,26,30)(H,28,29)/t12-,17?,18?,19?/m1/s1.

What are the key properties of 2,5-di(cyclobutyl)-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide?

2,5-di(cyclobutyl)-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide has a molecular weight of 423.48 g/mol, XLogP of 3.51, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-di(cyclobutyl)-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-diazinane-4-carboxamide is sourced from PubChem (CID 139268259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).