3-fluoro-N-[[(2R)-4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide

C23H36FN3O4 — CID 99729601

About 3-fluoro-N-[[(2R)-4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide

3-fluoro-N-[[(2R)-4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide (PubChem CID 99729601) has the molecular formula C23H36FN3O4 and a molecular weight of 437.56 g/mol. Its IUPAC name is 3-fluoro-N-[[(2R)-4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide.

Molecular Properties

• Compound Name: 3-fluoro-N-[[(2R)-4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide
• PubChem CID: 99729601
• Molecular Formula: C23H36FN3O4
• Molecular Weight: 437.56 g/mol
• Exact Mass: 437.27
• IUPAC Name: 3-fluoro-N-[[(2R)-4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide
• SMILES: CC(C)CN(C[C@H]1CN(C[C@@H](O)CN2CCOCC2)CCO1)C(=O)c1cccc(F)c1
• InChI: InChI=1S/C23H36FN3O4/c1-18(2)13-27(23(29)19-4-3-5-20(24)12-19)17-22-16-26(8-11-31-22)15-21(28)14-25-6-9-30-10-7-25/h3-5,12,18,21-22,28H,6-11,13-17H2,1-2H3/t21-,22+/m0/s1
• InChIKey: VCYVURNTRAITMQ-FCHUYYIVSA-N
• XLogP: 1.32
• TPSA: 65.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.56
LogP ≤ 5	1.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[(2R)-4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide?

The IUPAC name of 3-fluoro-N-[[(2R)-4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide (CID 99729601) is 3-fluoro-N-[[(2R)-4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide.

What is the SMILES notation for 3-fluoro-N-[[(2R)-4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide?

The canonical SMILES for 3-fluoro-N-[[(2R)-4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide is CC(C)CN(C[C@H]1CN(C[C@@H](O)CN2CCOCC2)CCO1)C(=O)c1cccc(F)c1.

What is the InChIKey of 3-fluoro-N-[[(2R)-4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide?

The InChIKey is VCYVURNTRAITMQ-FCHUYYIVSA-N. The full InChI is InChI=1S/C23H36FN3O4/c1-18(2)13-27(23(29)19-4-3-5-20(24)12-19)17-22-16-26(8-11-31-22)15-21(28)14-25-6-9-30-10-7-25/h3-5,12,18,21-22,28H,6-11,13-17H2,1-2H3/t21-,22+/m0/s1.

What are the key properties of 3-fluoro-N-[[(2R)-4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide?

3-fluoro-N-[[(2R)-4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide has a molecular weight of 437.56 g/mol, XLogP of 1.32, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-N-[[(2R)-4-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]morpholin-2-yl]methyl]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 99729601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).