2-(3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide

C35H37N3O5 — CID 43821427

About 2-(3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide

2-(3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 43821427) has the molecular formula C35H37N3O5 and a molecular weight of 579.70 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-(3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide
• PubChem CID: 43821427
• Molecular Formula: C35H37N3O5
• Molecular Weight: 579.70 g/mol
• Exact Mass: 579.27
• IUPAC Name: 2-(3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide
• SMILES: COc1ccc(CN(C(=O)Cc2ccccc2)C(C(=O)Nc2ccc(N3CCOCC3)cc2)c2cccc(OC)c2)cc1
• InChI: InChI=1S/C35H37N3O5/c1-41-31-17-11-27(12-18-31)25-38(33(39)23-26-7-4-3-5-8-26)34(28-9-6-10-32(24-28)42-2)35(40)36-29-13-15-30(16-14-29)37-19-21-43-22-20-37/h3-18,24,34H,19-23,25H2,1-2H3,(H,36,40)
• InChIKey: FMKPECVHICLWBB-UHFFFAOYSA-N
• XLogP: 5.49
• TPSA: 80.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	579.70
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide?

The IUPAC name of 2-(3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide (CID 43821427) is 2-(3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide.

What is the SMILES notation for 2-(3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide?

The canonical SMILES for 2-(3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide is COc1ccc(CN(C(=O)Cc2ccccc2)C(C(=O)Nc2ccc(N3CCOCC3)cc2)c2cccc(OC)c2)cc1.

What is the InChIKey of 2-(3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide?

The InChIKey is FMKPECVHICLWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37N3O5/c1-41-31-17-11-27(12-18-31)25-38(33(39)23-26-7-4-3-5-8-26)34(28-9-6-10-32(24-28)42-2)35(40)36-29-13-15-30(16-14-29)37-19-21-43-22-20-37/h3-18,24,34H,19-23,25H2,1-2H3,(H,36,40).

What are the key properties of 2-(3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide?

2-(3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 579.70 g/mol, XLogP of 5.49, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-methoxyphenyl)-2-[(4-methoxyphenyl)methyl-(2-phenylacetyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 43821427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).