(2,6-dimethylphenyl) 2-[2-[[2,4-dimethyl-3-[2-(2,3,6-trimethylmorpholin-4-yl)acetyl]oxyphenyl]methyl]-6-methylmorpholin-4-yl]-2-methylpropanoate

C35H50N2O6 — CID 167289589

About (2,6-dimethylphenyl) 2-[2-[[2,4-dimethyl-3-[2-(2,3,6-trimethylmorpholin-4-yl)acetyl]oxyphenyl]methyl]-6-methylmorpholin-4-yl]-2-methylpropanoate

(2,6-dimethylphenyl) 2-[2-[[2,4-dimethyl-3-[2-(2,3,6-trimethylmorpholin-4-yl)acetyl]oxyphenyl]methyl]-6-methylmorpholin-4-yl]-2-methylpropanoate (PubChem CID 167289589) has the molecular formula C35H50N2O6 and a molecular weight of 594.79 g/mol. Its IUPAC name is (2,6-dimethylphenyl) 2-[2-[[2,4-dimethyl-3-[2-(2,3,6-trimethylmorpholin-4-yl)acetyl]oxyphenyl]methyl]-6-methylmorpholin-4-yl]-2-methylpropanoate.

Molecular Properties

• Compound Name: (2,6-dimethylphenyl) 2-[2-[[2,4-dimethyl-3-[2-(2,3,6-trimethylmorpholin-4-yl)acetyl]oxyphenyl]methyl]-6-methylmorpholin-4-yl]-2-methylpropanoate
• PubChem CID: 167289589
• Molecular Formula: C35H50N2O6
• Molecular Weight: 594.79 g/mol
• Exact Mass: 594.37
• IUPAC Name: (2,6-dimethylphenyl) 2-[2-[[2,4-dimethyl-3-[2-(2,3,6-trimethylmorpholin-4-yl)acetyl]oxyphenyl]methyl]-6-methylmorpholin-4-yl]-2-methylpropanoate
• SMILES: Cc1cccc(C)c1OC(=O)C(C)(C)N1CC(C)OC(Cc2ccc(C)c(OC(=O)CN3CC(C)OC(C)C3C)c2C)C1
• InChI: InChI=1S/C35H50N2O6/c1-21-12-11-13-22(2)32(21)43-34(39)35(9,10)37-18-25(5)41-30(19-37)16-29-15-14-23(3)33(26(29)6)42-31(38)20-36-17-24(4)40-28(8)27(36)7/h11-15,24-25,27-28,30H,16-20H2,1-10H3
• InChIKey: YKTKDBXCVKXPHO-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 77.54 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	594.79
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylphenyl) 2-[2-[[2,4-dimethyl-3-[2-(2,3,6-trimethylmorpholin-4-yl)acetyl]oxyphenyl]methyl]-6-methylmorpholin-4-yl]-2-methylpropanoate?

The IUPAC name of (2,6-dimethylphenyl) 2-[2-[[2,4-dimethyl-3-[2-(2,3,6-trimethylmorpholin-4-yl)acetyl]oxyphenyl]methyl]-6-methylmorpholin-4-yl]-2-methylpropanoate (CID 167289589) is (2,6-dimethylphenyl) 2-[2-[[2,4-dimethyl-3-[2-(2,3,6-trimethylmorpholin-4-yl)acetyl]oxyphenyl]methyl]-6-methylmorpholin-4-yl]-2-methylpropanoate.

What is the SMILES notation for (2,6-dimethylphenyl) 2-[2-[[2,4-dimethyl-3-[2-(2,3,6-trimethylmorpholin-4-yl)acetyl]oxyphenyl]methyl]-6-methylmorpholin-4-yl]-2-methylpropanoate?

The canonical SMILES for (2,6-dimethylphenyl) 2-[2-[[2,4-dimethyl-3-[2-(2,3,6-trimethylmorpholin-4-yl)acetyl]oxyphenyl]methyl]-6-methylmorpholin-4-yl]-2-methylpropanoate is Cc1cccc(C)c1OC(=O)C(C)(C)N1CC(C)OC(Cc2ccc(C)c(OC(=O)CN3CC(C)OC(C)C3C)c2C)C1.

What is the InChIKey of (2,6-dimethylphenyl) 2-[2-[[2,4-dimethyl-3-[2-(2,3,6-trimethylmorpholin-4-yl)acetyl]oxyphenyl]methyl]-6-methylmorpholin-4-yl]-2-methylpropanoate?

The InChIKey is YKTKDBXCVKXPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H50N2O6/c1-21-12-11-13-22(2)32(21)43-34(39)35(9,10)37-18-25(5)41-30(19-37)16-29-15-14-23(3)33(26(29)6)42-31(38)20-36-17-24(4)40-28(8)27(36)7/h11-15,24-25,27-28,30H,16-20H2,1-10H3.

What are the key properties of (2,6-dimethylphenyl) 2-[2-[[2,4-dimethyl-3-[2-(2,3,6-trimethylmorpholin-4-yl)acetyl]oxyphenyl]methyl]-6-methylmorpholin-4-yl]-2-methylpropanoate?

(2,6-dimethylphenyl) 2-[2-[[2,4-dimethyl-3-[2-(2,3,6-trimethylmorpholin-4-yl)acetyl]oxyphenyl]methyl]-6-methylmorpholin-4-yl]-2-methylpropanoate has a molecular weight of 594.79 g/mol, XLogP of 5.34, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2,6-dimethylphenyl) 2-[2-[[2,4-dimethyl-3-[2-(2,3,6-trimethylmorpholin-4-yl)acetyl]oxyphenyl]methyl]-6-methylmorpholin-4-yl]-2-methylpropanoate is sourced from PubChem (CID 167289589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).