5-amino-4-hydroxy-N-(3-hydroxypropyl)-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,8-dimethylnonanamide;hydrochloride

C26H47ClN2O6 — CID 74071191

About 5-amino-4-hydroxy-N-(3-hydroxypropyl)-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,8-dimethylnonanamide;hydrochloride

5-amino-4-hydroxy-N-(3-hydroxypropyl)-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,8-dimethylnonanamide;hydrochloride (PubChem CID 74071191) has the molecular formula C26H47ClN2O6 and a molecular weight of 519.12 g/mol. Its IUPAC name is 5-amino-4-hydroxy-N-(3-hydroxypropyl)-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,8-dimethylnonanamide;hydrochloride.

Molecular Properties

• Compound Name: 5-amino-4-hydroxy-N-(3-hydroxypropyl)-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,8-dimethylnonanamide;hydrochloride
• PubChem CID: 74071191
• Molecular Formula: C26H47ClN2O6
• Molecular Weight: 519.12 g/mol
• Exact Mass: 518.31
• IUPAC Name: 5-amino-4-hydroxy-N-(3-hydroxypropyl)-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,8-dimethylnonanamide;hydrochloride
• SMILES: COCCCOc1cc(CC(CC(N)C(O)CC(C)C(=O)NCCCO)C(C)C)ccc1OC.Cl
• InChI: InChI=1S/C26H46N2O6.ClH/c1-18(2)21(17-22(27)23(30)14-19(3)26(31)28-10-6-11-29)15-20-8-9-24(33-5)25(16-20)34-13-7-12-32-4;/h8-9,16,18-19,21-23,29-30H,6-7,10-15,17,27H2,1-5H3,(H,28,31);1H
• InChIKey: VKAJDPXDBNQNRO-UHFFFAOYSA-N
• XLogP: 2.95
• TPSA: 123.27 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 18
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.12
LogP ≤ 5	2.95
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-hydroxy-N-(3-hydroxypropyl)-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,8-dimethylnonanamide;hydrochloride?

The IUPAC name of 5-amino-4-hydroxy-N-(3-hydroxypropyl)-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,8-dimethylnonanamide;hydrochloride (CID 74071191) is 5-amino-4-hydroxy-N-(3-hydroxypropyl)-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,8-dimethylnonanamide;hydrochloride.

What is the SMILES notation for 5-amino-4-hydroxy-N-(3-hydroxypropyl)-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,8-dimethylnonanamide;hydrochloride?

The canonical SMILES for 5-amino-4-hydroxy-N-(3-hydroxypropyl)-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,8-dimethylnonanamide;hydrochloride is COCCCOc1cc(CC(CC(N)C(O)CC(C)C(=O)NCCCO)C(C)C)ccc1OC.Cl.

What is the InChIKey of 5-amino-4-hydroxy-N-(3-hydroxypropyl)-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,8-dimethylnonanamide;hydrochloride?

The InChIKey is VKAJDPXDBNQNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46N2O6.ClH/c1-18(2)21(17-22(27)23(30)14-19(3)26(31)28-10-6-11-29)15-20-8-9-24(33-5)25(16-20)34-13-7-12-32-4;/h8-9,16,18-19,21-23,29-30H,6-7,10-15,17,27H2,1-5H3,(H,28,31);1H.

What are the key properties of 5-amino-4-hydroxy-N-(3-hydroxypropyl)-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,8-dimethylnonanamide;hydrochloride?

5-amino-4-hydroxy-N-(3-hydroxypropyl)-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,8-dimethylnonanamide;hydrochloride has a molecular weight of 519.12 g/mol, XLogP of 2.95, 18 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-4-hydroxy-N-(3-hydroxypropyl)-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-2,8-dimethylnonanamide;hydrochloride is sourced from PubChem (CID 74071191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).