2-[3-[2-[[2-hydroxy-2-[5-hydroxy-6-(hydroxymethyl)-2-pyridinyl]ethyl]amino]-2-methylpropyl]phenyl]-N-(2-morpholin-4-ylethyl)acetamide

C26H38N4O5 — CID 11634492

About 2-[3-[2-[[2-hydroxy-2-[5-hydroxy-6-(hydroxymethyl)-2-pyridinyl]ethyl]amino]-2-methylpropyl]phenyl]-N-(2-morpholin-4-ylethyl)acetamide

2-[3-[2-[[2-hydroxy-2-[5-hydroxy-6-(hydroxymethyl)-2-pyridinyl]ethyl]amino]-2-methylpropyl]phenyl]-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 11634492) has the molecular formula C26H38N4O5 and a molecular weight of 486.61 g/mol. Its IUPAC name is 2-[3-[2-[[2-hydroxy-2-[5-hydroxy-6-(hydroxymethyl)-2-pyridinyl]ethyl]amino]-2-methylpropyl]phenyl]-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

• Compound Name: 2-[3-[2-[[2-hydroxy-2-[5-hydroxy-6-(hydroxymethyl)-2-pyridinyl]ethyl]amino]-2-methylpropyl]phenyl]-N-(2-morpholin-4-ylethyl)acetamide
• PubChem CID: 11634492
• Molecular Formula: C26H38N4O5
• Molecular Weight: 486.61 g/mol
• Exact Mass: 486.28
• IUPAC Name: 2-[3-[2-[[2-hydroxy-2-[5-hydroxy-6-(hydroxymethyl)-2-pyridinyl]ethyl]amino]-2-methylpropyl]phenyl]-N-(2-morpholin-4-ylethyl)acetamide
• SMILES: CC(C)(Cc1cccc(CC(=O)NCCN2CCOCC2)c1)NCC(O)c1ccc(O)c(CO)n1
• InChI: InChI=1S/C26H38N4O5/c1-26(2,28-17-24(33)21-6-7-23(32)22(18-31)29-21)16-20-5-3-4-19(14-20)15-25(34)27-8-9-30-10-12-35-13-11-30/h3-7,14,24,28,31-33H,8-13,15-18H2,1-2H3,(H,27,34)
• InChIKey: XYTIDVFSTMXWNP-UHFFFAOYSA-N
• XLogP: 0.91
• TPSA: 127.18 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.61
LogP ≤ 5	0.91
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[[2-hydroxy-2-[5-hydroxy-6-(hydroxymethyl)-2-pyridinyl]ethyl]amino]-2-methylpropyl]phenyl]-N-(2-morpholin-4-ylethyl)acetamide?

The IUPAC name of 2-[3-[2-[[2-hydroxy-2-[5-hydroxy-6-(hydroxymethyl)-2-pyridinyl]ethyl]amino]-2-methylpropyl]phenyl]-N-(2-morpholin-4-ylethyl)acetamide (CID 11634492) is 2-[3-[2-[[2-hydroxy-2-[5-hydroxy-6-(hydroxymethyl)-2-pyridinyl]ethyl]amino]-2-methylpropyl]phenyl]-N-(2-morpholin-4-ylethyl)acetamide.

What is the SMILES notation for 2-[3-[2-[[2-hydroxy-2-[5-hydroxy-6-(hydroxymethyl)-2-pyridinyl]ethyl]amino]-2-methylpropyl]phenyl]-N-(2-morpholin-4-ylethyl)acetamide?

The canonical SMILES for 2-[3-[2-[[2-hydroxy-2-[5-hydroxy-6-(hydroxymethyl)-2-pyridinyl]ethyl]amino]-2-methylpropyl]phenyl]-N-(2-morpholin-4-ylethyl)acetamide is CC(C)(Cc1cccc(CC(=O)NCCN2CCOCC2)c1)NCC(O)c1ccc(O)c(CO)n1.

What is the InChIKey of 2-[3-[2-[[2-hydroxy-2-[5-hydroxy-6-(hydroxymethyl)-2-pyridinyl]ethyl]amino]-2-methylpropyl]phenyl]-N-(2-morpholin-4-ylethyl)acetamide?

The InChIKey is XYTIDVFSTMXWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O5/c1-26(2,28-17-24(33)21-6-7-23(32)22(18-31)29-21)16-20-5-3-4-19(14-20)15-25(34)27-8-9-30-10-12-35-13-11-30/h3-7,14,24,28,31-33H,8-13,15-18H2,1-2H3,(H,27,34).

What are the key properties of 2-[3-[2-[[2-hydroxy-2-[5-hydroxy-6-(hydroxymethyl)-2-pyridinyl]ethyl]amino]-2-methylpropyl]phenyl]-N-(2-morpholin-4-ylethyl)acetamide?

2-[3-[2-[[2-hydroxy-2-[5-hydroxy-6-(hydroxymethyl)-2-pyridinyl]ethyl]amino]-2-methylpropyl]phenyl]-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 486.61 g/mol, XLogP of 0.91, 12 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[2-[[2-hydroxy-2-[5-hydroxy-6-(hydroxymethyl)-2-pyridinyl]ethyl]amino]-2-methylpropyl]phenyl]-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 11634492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).