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

C18H22F3N3O3 — CID 139268150

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

2-cyclopropyl-N-[(1R)-1-[2-methoxy-4-(trifluoromethyl)phenyl]ethyl]-6-oxo-1,3-diazinane-4-carboxamide (PubChem CID 139268150) has the molecular formula C18H22F3N3O3 and a molecular weight of 385.39 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(1R)-1-[2-methoxy-4-(trifluoromethyl)phenyl]ethyl]-6-oxo-1,3-diazinane-4-carboxamide.

Molecular Properties

• Compound Name: 2-cyclopropyl-N-[(1R)-1-[2-methoxy-4-(trifluoromethyl)phenyl]ethyl]-6-oxo-1,3-diazinane-4-carboxamide
• PubChem CID: 139268150
• Molecular Formula: C18H22F3N3O3
• Molecular Weight: 385.39 g/mol
• Exact Mass: 385.16
• IUPAC Name: 2-cyclopropyl-N-[(1R)-1-[2-methoxy-4-(trifluoromethyl)phenyl]ethyl]-6-oxo-1,3-diazinane-4-carboxamide
• SMILES: COc1cc(C(F)(F)F)ccc1[C@@H](C)NC(=O)C1CC(=O)NC(C2CC2)N1
• InChI: InChI=1S/C18H22F3N3O3/c1-9(12-6-5-11(18(19,20)21)7-14(12)27-2)22-17(26)13-8-15(25)24-16(23-13)10-3-4-10/h5-7,9-10,13,16,23H,3-4,8H2,1-2H3,(H,22,26)(H,24,25)/t9-,13?,16?/m1/s1
• InChIKey: NMFHGWJFZROLQW-VRJDLGRMSA-N
• XLogP: 2.11
• TPSA: 79.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.39
LogP ≤ 5	2.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-cyclopropyl-N-[(1R)-1-[2-methoxy-4-(trifluoromethyl)phenyl]ethyl]-6-oxo-1,3-diazinane-4-carboxamide (CID 139268150) is 2-cyclopropyl-N-[(1R)-1-[2-methoxy-4-(trifluoromethyl)phenyl]ethyl]-6-oxo-1,3-diazinane-4-carboxamide.

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

The canonical SMILES for 2-cyclopropyl-N-[(1R)-1-[2-methoxy-4-(trifluoromethyl)phenyl]ethyl]-6-oxo-1,3-diazinane-4-carboxamide is COc1cc(C(F)(F)F)ccc1[C@@H](C)NC(=O)C1CC(=O)NC(C2CC2)N1.

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

The InChIKey is NMFHGWJFZROLQW-VRJDLGRMSA-N. The full InChI is InChI=1S/C18H22F3N3O3/c1-9(12-6-5-11(18(19,20)21)7-14(12)27-2)22-17(26)13-8-15(25)24-16(23-13)10-3-4-10/h5-7,9-10,13,16,23H,3-4,8H2,1-2H3,(H,22,26)(H,24,25)/t9-,13?,16?/m1/s1.

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

2-cyclopropyl-N-[(1R)-1-[2-methoxy-4-(trifluoromethyl)phenyl]ethyl]-6-oxo-1,3-diazinane-4-carboxamide has a molecular weight of 385.39 g/mol, XLogP of 2.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-N-[(1R)-1-[2-methoxy-4-(trifluoromethyl)phenyl]ethyl]-6-oxo-1,3-diazinane-4-carboxamide is sourced from PubChem (CID 139268150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).