5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-N-(1-oxaspiro[2.5]octan-6-yl)-2-propan-2-ylnonanamide

C32H54N2O6 — CID 72555921

About 5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-N-(1-oxaspiro[2.5]octan-6-yl)-2-propan-2-ylnonanamide

5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-N-(1-oxaspiro[2.5]octan-6-yl)-2-propan-2-ylnonanamide (PubChem CID 72555921) has the molecular formula C32H54N2O6 and a molecular weight of 562.79 g/mol. Its IUPAC name is 5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-N-(1-oxaspiro[2.5]octan-6-yl)-2-propan-2-ylnonanamide.

Molecular Properties

• Compound Name: 5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-N-(1-oxaspiro[2.5]octan-6-yl)-2-propan-2-ylnonanamide
• PubChem CID: 72555921
• Molecular Formula: C32H54N2O6
• Molecular Weight: 562.79 g/mol
• Exact Mass: 562.40
• IUPAC Name: 5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-N-(1-oxaspiro[2.5]octan-6-yl)-2-propan-2-ylnonanamide
• SMILES: COCCCOc1cc(CC(CC(N)C(O)CC(C(=O)NC2CCC3(CC2)CO3)C(C)C)C(C)C)ccc1OC
• InChI: InChI=1S/C32H54N2O6/c1-21(2)24(16-23-8-9-29(38-6)30(17-23)39-15-7-14-37-5)18-27(33)28(35)19-26(22(3)4)31(36)34-25-10-12-32(13-11-25)20-40-32/h8-9,17,21-22,24-28,35H,7,10-16,18-20,33H2,1-6H3,(H,34,36)
• InChIKey: RABTXSAPSCHQEI-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 115.57 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 17
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	562.79
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-N-(1-oxaspiro[2.5]octan-6-yl)-2-propan-2-ylnonanamide?

The IUPAC name of 5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-N-(1-oxaspiro[2.5]octan-6-yl)-2-propan-2-ylnonanamide (CID 72555921) is 5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-N-(1-oxaspiro[2.5]octan-6-yl)-2-propan-2-ylnonanamide.

What is the SMILES notation for 5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-N-(1-oxaspiro[2.5]octan-6-yl)-2-propan-2-ylnonanamide?

The canonical SMILES for 5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-N-(1-oxaspiro[2.5]octan-6-yl)-2-propan-2-ylnonanamide is COCCCOc1cc(CC(CC(N)C(O)CC(C(=O)NC2CCC3(CC2)CO3)C(C)C)C(C)C)ccc1OC.

What is the InChIKey of 5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-N-(1-oxaspiro[2.5]octan-6-yl)-2-propan-2-ylnonanamide?

The InChIKey is RABTXSAPSCHQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H54N2O6/c1-21(2)24(16-23-8-9-29(38-6)30(17-23)39-15-7-14-37-5)18-27(33)28(35)19-26(22(3)4)31(36)34-25-10-12-32(13-11-25)20-40-32/h8-9,17,21-22,24-28,35H,7,10-16,18-20,33H2,1-6H3,(H,34,36).

What are the key properties of 5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-N-(1-oxaspiro[2.5]octan-6-yl)-2-propan-2-ylnonanamide?

5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-N-(1-oxaspiro[2.5]octan-6-yl)-2-propan-2-ylnonanamide has a molecular weight of 562.79 g/mol, XLogP of 4.49, 17 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-N-(1-oxaspiro[2.5]octan-6-yl)-2-propan-2-ylnonanamide is sourced from PubChem (CID 72555921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).