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

C26H47ClN2O5 — CID 68576959

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

N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-N,2,2-trimethylpropanamide;hydrochloride (PubChem CID 68576959) has the molecular formula C26H47ClN2O5 and a molecular weight of 503.12 g/mol. Its IUPAC name is N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-N,2,2-trimethylpropanamide;hydrochloride.

Molecular Properties

• Compound Name: N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-N,2,2-trimethylpropanamide;hydrochloride
• PubChem CID: 68576959
• Molecular Formula: C26H47ClN2O5
• Molecular Weight: 503.12 g/mol
• Exact Mass: 502.32
• IUPAC Name: N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-N,2,2-trimethylpropanamide;hydrochloride
• SMILES: COCCCOc1cc(CC(CC(N)C(O)CN(C)C(=O)C(C)(C)C)C(C)C)ccc1OC.Cl
• InChI: InChI=1S/C26H46N2O5.ClH/c1-18(2)20(16-21(27)22(29)17-28(6)25(30)26(3,4)5)14-19-10-11-23(32-8)24(15-19)33-13-9-12-31-7;/h10-11,15,18,20-22,29H,9,12-14,16-17,27H2,1-8H3;1H
• InChIKey: FBOHJESATDUIIA-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 94.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.12
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

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]-N,2,2-trimethylpropanamide;hydrochloride?

The IUPAC name of N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-N,2,2-trimethylpropanamide;hydrochloride (CID 68576959) is N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-N,2,2-trimethylpropanamide;hydrochloride.

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

The canonical SMILES for N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-N,2,2-trimethylpropanamide;hydrochloride is COCCCOc1cc(CC(CC(N)C(O)CN(C)C(=O)C(C)(C)C)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]-N,2,2-trimethylpropanamide;hydrochloride?

The InChIKey is FBOHJESATDUIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46N2O5.ClH/c1-18(2)20(16-21(27)22(29)17-28(6)25(30)26(3,4)5)14-19-10-11-23(32-8)24(15-19)33-13-9-12-31-7;/h10-11,15,18,20-22,29H,9,12-14,16-17,27H2,1-8H3;1H.

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

N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-N,2,2-trimethylpropanamide;hydrochloride has a molecular weight of 503.12 g/mol, XLogP of 3.93, 14 rotatable bonds, 2 hydrogen bond donors, and 6 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]-N,2,2-trimethylpropanamide;hydrochloride is sourced from PubChem (CID 68576959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).