N-[[(2R)-4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide

C23H35F3N2O5 — CID 98634512

About N-[[(2R)-4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide

N-[[(2R)-4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide (PubChem CID 98634512) has the molecular formula C23H35F3N2O5 and a molecular weight of 476.54 g/mol. Its IUPAC name is N-[[(2R)-4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: N-[[(2R)-4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
• PubChem CID: 98634512
• Molecular Formula: C23H35F3N2O5
• Molecular Weight: 476.54 g/mol
• Exact Mass: 476.25
• IUPAC Name: N-[[(2R)-4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
• SMILES: COCCN(C[C@H]1CN(C[C@H](O)COC(C)(C)C)CCO1)C(=O)c1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C23H35F3N2O5/c1-22(2,3)33-16-19(29)13-27-8-11-32-20(14-27)15-28(9-10-31-4)21(30)17-6-5-7-18(12-17)23(24,25)26/h5-7,12,19-20,29H,8-11,13-16H2,1-4H3/t19-,20+/m0/s1
• InChIKey: OIHNHCXLKQVVGP-VQTJNVASSA-N
• XLogP: 2.67
• TPSA: 71.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.54
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide?

The IUPAC name of N-[[(2R)-4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide (CID 98634512) is N-[[(2R)-4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide.

What is the SMILES notation for N-[[(2R)-4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide?

The canonical SMILES for N-[[(2R)-4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide is COCCN(C[C@H]1CN(C[C@H](O)COC(C)(C)C)CCO1)C(=O)c1cccc(C(F)(F)F)c1.

What is the InChIKey of N-[[(2R)-4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide?

The InChIKey is OIHNHCXLKQVVGP-VQTJNVASSA-N. The full InChI is InChI=1S/C23H35F3N2O5/c1-22(2,3)33-16-19(29)13-27-8-11-32-20(14-27)15-28(9-10-31-4)21(30)17-6-5-7-18(12-17)23(24,25)26/h5-7,12,19-20,29H,8-11,13-16H2,1-4H3/t19-,20+/m0/s1.

What are the key properties of N-[[(2R)-4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide?

N-[[(2R)-4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide has a molecular weight of 476.54 g/mol, XLogP of 2.67, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(2R)-4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 98634512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).