N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2-methoxy-2-methylpropanamide;hydrochloride

C25H45ClN2O6 — CID 68576302

About N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2-methoxy-2-methylpropanamide;hydrochloride

N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2-methoxy-2-methylpropanamide;hydrochloride (PubChem CID 68576302) has the molecular formula C25H45ClN2O6 and a molecular weight of 505.10 g/mol. Its IUPAC name is N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2-methoxy-2-methylpropanamide;hydrochloride.

Molecular Properties

• Compound Name: N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2-methoxy-2-methylpropanamide;hydrochloride
• PubChem CID: 68576302
• Molecular Formula: C25H45ClN2O6
• Molecular Weight: 505.10 g/mol
• Exact Mass: 504.30
• IUPAC Name: N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2-methoxy-2-methylpropanamide;hydrochloride
• SMILES: COCCCOc1cc(CC(CC(N)C(O)CNC(=O)C(C)(C)OC)C(C)C)ccc1OC.Cl
• InChI: InChI=1S/C25H44N2O6.ClH/c1-17(2)19(15-20(26)21(28)16-27-24(29)25(3,4)32-7)13-18-9-10-22(31-6)23(14-18)33-12-8-11-30-5;/h9-10,14,17,19-21,28H,8,11-13,15-16,26H2,1-7H3,(H,27,29);1H
• InChIKey: RIWAUKCMCXOJQK-UHFFFAOYSA-N
• XLogP: 2.97
• TPSA: 112.27 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 16
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.10
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	3
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 N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2-methoxy-2-methylpropanamide;hydrochloride?

The IUPAC name of N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2-methoxy-2-methylpropanamide;hydrochloride (CID 68576302) is N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2-methoxy-2-methylpropanamide;hydrochloride.

What is the SMILES notation for N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2-methoxy-2-methylpropanamide;hydrochloride?

The canonical SMILES for N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2-methoxy-2-methylpropanamide;hydrochloride is COCCCOc1cc(CC(CC(N)C(O)CNC(=O)C(C)(C)OC)C(C)C)ccc1OC.Cl.

What is the InChIKey of N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2-methoxy-2-methylpropanamide;hydrochloride?

The InChIKey is RIWAUKCMCXOJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44N2O6.ClH/c1-17(2)19(15-20(26)21(28)16-27-24(29)25(3,4)32-7)13-18-9-10-22(31-6)23(14-18)33-12-8-11-30-5;/h9-10,14,17,19-21,28H,8,11-13,15-16,26H2,1-7H3,(H,27,29);1H.

What are the key properties of N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2-methoxy-2-methylpropanamide;hydrochloride?

N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2-methoxy-2-methylpropanamide;hydrochloride has a molecular weight of 505.10 g/mol, XLogP of 2.97, 16 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2-methoxy-2-methylpropanamide;hydrochloride is sourced from PubChem (CID 68576302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).