2-amino-N-[1-[[1-[2-(dimethylamino)-2-oxo-1-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide

C28H33F3N6O4 — CID 20711094

About 2-amino-N-[1-[[1-[2-(dimethylamino)-2-oxo-1-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide

2-amino-N-[1-[[1-[2-(dimethylamino)-2-oxo-1-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide (PubChem CID 20711094) has the molecular formula C28H33F3N6O4 and a molecular weight of 574.60 g/mol. Its IUPAC name is 2-amino-N-[1-[[1-[2-(dimethylamino)-2-oxo-1-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide.

Molecular Properties

• Compound Name: 2-amino-N-[1-[[1-[2-(dimethylamino)-2-oxo-1-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide
• PubChem CID: 20711094
• Molecular Formula: C28H33F3N6O4
• Molecular Weight: 574.60 g/mol
• Exact Mass: 574.25
• IUPAC Name: 2-amino-N-[1-[[1-[2-(dimethylamino)-2-oxo-1-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide
• SMILES: CN(C)C(=O)C(c1ccccc1C(F)(F)F)n1cnc(NC(=O)C(COCc2ccccc2)NC(=O)C(C)(C)N)c1
• InChI: InChI=1S/C28H33F3N6O4/c1-27(2,32)26(40)34-21(16-41-15-18-10-6-5-7-11-18)24(38)35-22-14-37(17-33-22)23(25(39)36(3)4)19-12-8-9-13-20(19)28(29,30)31/h5-14,17,21,23H,15-16,32H2,1-4H3,(H,34,40)(H,35,38)
• InChIKey: BRVSNBBWCNOZDL-UHFFFAOYSA-N
• XLogP: 2.96
• TPSA: 131.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	574.60
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[[1-[2-(dimethylamino)-2-oxo-1-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide?

The IUPAC name of 2-amino-N-[1-[[1-[2-(dimethylamino)-2-oxo-1-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide (CID 20711094) is 2-amino-N-[1-[[1-[2-(dimethylamino)-2-oxo-1-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide.

What is the SMILES notation for 2-amino-N-[1-[[1-[2-(dimethylamino)-2-oxo-1-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide?

The canonical SMILES for 2-amino-N-[1-[[1-[2-(dimethylamino)-2-oxo-1-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide is CN(C)C(=O)C(c1ccccc1C(F)(F)F)n1cnc(NC(=O)C(COCc2ccccc2)NC(=O)C(C)(C)N)c1.

What is the InChIKey of 2-amino-N-[1-[[1-[2-(dimethylamino)-2-oxo-1-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide?

The InChIKey is BRVSNBBWCNOZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33F3N6O4/c1-27(2,32)26(40)34-21(16-41-15-18-10-6-5-7-11-18)24(38)35-22-14-37(17-33-22)23(25(39)36(3)4)19-12-8-9-13-20(19)28(29,30)31/h5-14,17,21,23H,15-16,32H2,1-4H3,(H,34,40)(H,35,38).

What are the key properties of 2-amino-N-[1-[[1-[2-(dimethylamino)-2-oxo-1-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide?

2-amino-N-[1-[[1-[2-(dimethylamino)-2-oxo-1-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide has a molecular weight of 574.60 g/mol, XLogP of 2.96, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[1-[[1-[2-(dimethylamino)-2-oxo-1-[2-(trifluoromethyl)phenyl]ethyl]imidazol-4-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 20711094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).