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

C22H36N2O5 — CID 92984291

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

N-[[(2S)-4-[(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide (PubChem CID 92984291) has the molecular formula C22H36N2O5 and a molecular weight of 408.54 g/mol. Its IUPAC name is N-[[(2S)-4-[(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide.

Molecular Properties

• Compound Name: N-[[(2S)-4-[(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
• PubChem CID: 92984291
• Molecular Formula: C22H36N2O5
• Molecular Weight: 408.54 g/mol
• Exact Mass: 408.26
• IUPAC Name: N-[[(2S)-4-[(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
• SMILES: COCCN(C[C@@H]1CN(C[C@@H](O)COC(C)(C)C)CCO1)C(=O)c1ccccc1
• InChI: InChI=1S/C22H36N2O5/c1-22(2,3)29-17-19(25)14-23-10-13-28-20(15-23)16-24(11-12-27-4)21(26)18-8-6-5-7-9-18/h5-9,19-20,25H,10-17H2,1-4H3/t19-,20+/m1/s1
• InChIKey: NPXIEYJEFOLUPP-UXHICEINSA-N
• XLogP: 1.65
• TPSA: 71.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.54
LogP ≤ 5	1.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[[(2S)-4-[(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide (CID 92984291) is N-[[(2S)-4-[(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide.

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

The canonical SMILES for N-[[(2S)-4-[(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide is COCCN(C[C@@H]1CN(C[C@@H](O)COC(C)(C)C)CCO1)C(=O)c1ccccc1.

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

The InChIKey is NPXIEYJEFOLUPP-UXHICEINSA-N. The full InChI is InChI=1S/C22H36N2O5/c1-22(2,3)29-17-19(25)14-23-10-13-28-20(15-23)16-24(11-12-27-4)21(26)18-8-6-5-7-9-18/h5-9,19-20,25H,10-17H2,1-4H3/t19-,20+/m1/s1.

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

N-[[(2S)-4-[(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide has a molecular weight of 408.54 g/mol, XLogP of 1.65, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(2S)-4-[(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 92984291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).