[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[5-(4-methoxyphenyl)-2-methyl-1-(4-methylphenyl)pyrrol-3-yl]methanone

C26H30N2O3 — CID 7306681

About [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[5-(4-methoxyphenyl)-2-methyl-1-(4-methylphenyl)pyrrol-3-yl]methanone

[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[5-(4-methoxyphenyl)-2-methyl-1-(4-methylphenyl)pyrrol-3-yl]methanone (PubChem CID 7306681) has the molecular formula C26H30N2O3 and a molecular weight of 418.54 g/mol. Its IUPAC name is [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[5-(4-methoxyphenyl)-2-methyl-1-(4-methylphenyl)pyrrol-3-yl]methanone.

Molecular Properties

• Compound Name: [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[5-(4-methoxyphenyl)-2-methyl-1-(4-methylphenyl)pyrrol-3-yl]methanone
• PubChem CID: 7306681
• Molecular Formula: C26H30N2O3
• Molecular Weight: 418.54 g/mol
• Exact Mass: 418.23
• IUPAC Name: [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[5-(4-methoxyphenyl)-2-methyl-1-(4-methylphenyl)pyrrol-3-yl]methanone
• SMILES: COc1ccc(-c2cc(C(=O)N3C[C@@H](C)O[C@H](C)C3)c(C)n2-c2ccc(C)cc2)cc1
• InChI: InChI=1S/C26H30N2O3/c1-17-6-10-22(11-7-17)28-20(4)24(26(29)27-15-18(2)31-19(3)16-27)14-25(28)21-8-12-23(30-5)13-9-21/h6-14,18-19H,15-16H2,1-5H3/t18-,19-/m1/s1
• InChIKey: GFEVWQNEFMBUJN-RTBURBONSA-N
• XLogP: 5.02
• TPSA: 43.70 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	418.54
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[5-(4-methoxyphenyl)-2-methyl-1-(4-methylphenyl)pyrrol-3-yl]methanone?

The IUPAC name of [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[5-(4-methoxyphenyl)-2-methyl-1-(4-methylphenyl)pyrrol-3-yl]methanone (CID 7306681) is [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[5-(4-methoxyphenyl)-2-methyl-1-(4-methylphenyl)pyrrol-3-yl]methanone.

What is the SMILES notation for [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[5-(4-methoxyphenyl)-2-methyl-1-(4-methylphenyl)pyrrol-3-yl]methanone?

The canonical SMILES for [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[5-(4-methoxyphenyl)-2-methyl-1-(4-methylphenyl)pyrrol-3-yl]methanone is COc1ccc(-c2cc(C(=O)N3C[C@@H](C)O[C@H](C)C3)c(C)n2-c2ccc(C)cc2)cc1.

What is the InChIKey of [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[5-(4-methoxyphenyl)-2-methyl-1-(4-methylphenyl)pyrrol-3-yl]methanone?

The InChIKey is GFEVWQNEFMBUJN-RTBURBONSA-N. The full InChI is InChI=1S/C26H30N2O3/c1-17-6-10-22(11-7-17)28-20(4)24(26(29)27-15-18(2)31-19(3)16-27)14-25(28)21-8-12-23(30-5)13-9-21/h6-14,18-19H,15-16H2,1-5H3/t18-,19-/m1/s1.

What are the key properties of [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[5-(4-methoxyphenyl)-2-methyl-1-(4-methylphenyl)pyrrol-3-yl]methanone?

[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[5-(4-methoxyphenyl)-2-methyl-1-(4-methylphenyl)pyrrol-3-yl]methanone has a molecular weight of 418.54 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,6R)-2,6-dimethylmorpholin-4-yl]-[5-(4-methoxyphenyl)-2-methyl-1-(4-methylphenyl)pyrrol-3-yl]methanone is sourced from PubChem (CID 7306681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).