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

C18H22F3N3O2 — CID 139268162

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

2-cyclopropyl-N-[(1R)-1-[3-methyl-4-(trifluoromethyl)phenyl]ethyl]-6-oxo-1,3-diazinane-4-carboxamide (PubChem CID 139268162) has the molecular formula C18H22F3N3O2 and a molecular weight of 369.39 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(1R)-1-[3-methyl-4-(trifluoromethyl)phenyl]ethyl]-6-oxo-1,3-diazinane-4-carboxamide.

Molecular Properties

• Compound Name: 2-cyclopropyl-N-[(1R)-1-[3-methyl-4-(trifluoromethyl)phenyl]ethyl]-6-oxo-1,3-diazinane-4-carboxamide
• PubChem CID: 139268162
• Molecular Formula: C18H22F3N3O2
• Molecular Weight: 369.39 g/mol
• Exact Mass: 369.17
• IUPAC Name: 2-cyclopropyl-N-[(1R)-1-[3-methyl-4-(trifluoromethyl)phenyl]ethyl]-6-oxo-1,3-diazinane-4-carboxamide
• SMILES: Cc1cc([C@@H](C)NC(=O)C2CC(=O)NC(C3CC3)N2)ccc1C(F)(F)F
• InChI: InChI=1S/C18H22F3N3O2/c1-9-7-12(5-6-13(9)18(19,20)21)10(2)22-17(26)14-8-15(25)24-16(23-14)11-3-4-11/h5-7,10-11,14,16,23H,3-4,8H2,1-2H3,(H,22,26)(H,24,25)/t10-,14?,16?/m1/s1
• InChIKey: VERGLGPVOIQZMT-BVDFTEHZSA-N
• XLogP: 2.41
• TPSA: 70.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.39
LogP ≤ 5	2.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 2-cyclopropyl-N-[(1R)-1-[3-methyl-4-(trifluoromethyl)phenyl]ethyl]-6-oxo-1,3-diazinane-4-carboxamide (CID 139268162) is 2-cyclopropyl-N-[(1R)-1-[3-methyl-4-(trifluoromethyl)phenyl]ethyl]-6-oxo-1,3-diazinane-4-carboxamide.

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

The canonical SMILES for 2-cyclopropyl-N-[(1R)-1-[3-methyl-4-(trifluoromethyl)phenyl]ethyl]-6-oxo-1,3-diazinane-4-carboxamide is Cc1cc([C@@H](C)NC(=O)C2CC(=O)NC(C3CC3)N2)ccc1C(F)(F)F.

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

The InChIKey is VERGLGPVOIQZMT-BVDFTEHZSA-N. The full InChI is InChI=1S/C18H22F3N3O2/c1-9-7-12(5-6-13(9)18(19,20)21)10(2)22-17(26)14-8-15(25)24-16(23-14)11-3-4-11/h5-7,10-11,14,16,23H,3-4,8H2,1-2H3,(H,22,26)(H,24,25)/t10-,14?,16?/m1/s1.

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

2-cyclopropyl-N-[(1R)-1-[3-methyl-4-(trifluoromethyl)phenyl]ethyl]-6-oxo-1,3-diazinane-4-carboxamide has a molecular weight of 369.39 g/mol, XLogP of 2.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-N-[(1R)-1-[3-methyl-4-(trifluoromethyl)phenyl]ethyl]-6-oxo-1,3-diazinane-4-carboxamide is sourced from PubChem (CID 139268162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).