2-methoxy-N-[(2R)-3-methylbutan-2-yl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide

C26H32N2O2 — CID 7296733

About 2-methoxy-N-[(2R)-3-methylbutan-2-yl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide

2-methoxy-N-[(2R)-3-methylbutan-2-yl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide (PubChem CID 7296733) has the molecular formula C26H32N2O2 and a molecular weight of 404.55 g/mol. Its IUPAC name is 2-methoxy-N-[(2R)-3-methylbutan-2-yl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide.

Molecular Properties

• Compound Name: 2-methoxy-N-[(2R)-3-methylbutan-2-yl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide
• PubChem CID: 7296733
• Molecular Formula: C26H32N2O2
• Molecular Weight: 404.55 g/mol
• Exact Mass: 404.25
• IUPAC Name: 2-methoxy-N-[(2R)-3-methylbutan-2-yl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide
• SMILES: COc1ccccc1C(=O)N(Cc1cccn1Cc1cccc(C)c1)[C@H](C)C(C)C
• InChI: InChI=1S/C26H32N2O2/c1-19(2)21(4)28(26(29)24-13-6-7-14-25(24)30-5)18-23-12-9-15-27(23)17-22-11-8-10-20(3)16-22/h6-16,19,21H,17-18H2,1-5H3/t21-/m1/s1
• InChIKey: JTVYMZPXTNKVMS-OAQYLSRUSA-N
• XLogP: 5.54
• TPSA: 34.47 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	404.55
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(2R)-3-methylbutan-2-yl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide?

The IUPAC name of 2-methoxy-N-[(2R)-3-methylbutan-2-yl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide (CID 7296733) is 2-methoxy-N-[(2R)-3-methylbutan-2-yl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide.

What is the SMILES notation for 2-methoxy-N-[(2R)-3-methylbutan-2-yl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide?

The canonical SMILES for 2-methoxy-N-[(2R)-3-methylbutan-2-yl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide is COc1ccccc1C(=O)N(Cc1cccn1Cc1cccc(C)c1)[C@H](C)C(C)C.

What is the InChIKey of 2-methoxy-N-[(2R)-3-methylbutan-2-yl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide?

The InChIKey is JTVYMZPXTNKVMS-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H32N2O2/c1-19(2)21(4)28(26(29)24-13-6-7-14-25(24)30-5)18-23-12-9-15-27(23)17-22-11-8-10-20(3)16-22/h6-16,19,21H,17-18H2,1-5H3/t21-/m1/s1.

What are the key properties of 2-methoxy-N-[(2R)-3-methylbutan-2-yl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide?

2-methoxy-N-[(2R)-3-methylbutan-2-yl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide has a molecular weight of 404.55 g/mol, XLogP of 5.54, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-N-[(2R)-3-methylbutan-2-yl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide is sourced from PubChem (CID 7296733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).