(2S,4S,5S,7S)-5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-2-propan-2-ylnonanamide

C33H59N3O6 — CID 23626755

About (2S,4S,5S,7S)-5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-2-propan-2-ylnonanamide

(2S,4S,5S,7S)-5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-2-propan-2-ylnonanamide (PubChem CID 23626755) has the molecular formula C33H59N3O6 and a molecular weight of 593.85 g/mol. Its IUPAC name is (2S,4S,5S,7S)-5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-2-propan-2-ylnonanamide.

Molecular Properties

• Compound Name: (2S,4S,5S,7S)-5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-2-propan-2-ylnonanamide
• PubChem CID: 23626755
• Molecular Formula: C33H59N3O6
• Molecular Weight: 593.85 g/mol
• Exact Mass: 593.44
• IUPAC Name: (2S,4S,5S,7S)-5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-2-propan-2-ylnonanamide
• SMILES: COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCC(C)(C)N2CCOCC2)C(C)C)C(C)C)ccc1OC
• InChI: InChI=1S/C33H59N3O6/c1-23(2)26(18-25-10-11-30(40-8)31(19-25)42-15-9-14-39-7)20-28(34)29(37)21-27(24(3)4)32(38)35-22-33(5,6)36-12-16-41-17-13-36/h10-11,19,23-24,26-29,37H,9,12-18,20-22,34H2,1-8H3,(H,35,38)/t26-,27-,28-,29-/m0/s1
• InChIKey: ZYTAQNNNERNCLD-DZUOILHNSA-N
• XLogP: 3.89
• TPSA: 115.51 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 19
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	593.85
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S,4S,5S,7S)-5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-2-propan-2-ylnonanamide?

The IUPAC name of (2S,4S,5S,7S)-5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-2-propan-2-ylnonanamide (CID 23626755) is (2S,4S,5S,7S)-5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-2-propan-2-ylnonanamide.

What is the SMILES notation for (2S,4S,5S,7S)-5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-2-propan-2-ylnonanamide?

The canonical SMILES for (2S,4S,5S,7S)-5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-2-propan-2-ylnonanamide is COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCC(C)(C)N2CCOCC2)C(C)C)C(C)C)ccc1OC.

What is the InChIKey of (2S,4S,5S,7S)-5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-2-propan-2-ylnonanamide?

The InChIKey is ZYTAQNNNERNCLD-DZUOILHNSA-N. The full InChI is InChI=1S/C33H59N3O6/c1-23(2)26(18-25-10-11-30(40-8)31(19-25)42-15-9-14-39-7)20-28(34)29(37)21-27(24(3)4)32(38)35-22-33(5,6)36-12-16-41-17-13-36/h10-11,19,23-24,26-29,37H,9,12-18,20-22,34H2,1-8H3,(H,35,38)/t26-,27-,28-,29-/m0/s1.

What are the key properties of (2S,4S,5S,7S)-5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-2-propan-2-ylnonanamide?

(2S,4S,5S,7S)-5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-2-propan-2-ylnonanamide has a molecular weight of 593.85 g/mol, XLogP of 3.89, 19 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,4S,5S,7S)-5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-2-propan-2-ylnonanamide is sourced from PubChem (CID 23626755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).