N-(3-methoxyphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide

C26H27N3O3 — CID 50813999

About N-(3-methoxyphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide

N-(3-methoxyphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide (PubChem CID 50813999) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide.

Molecular Properties

• Compound Name: N-(3-methoxyphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide
• PubChem CID: 50813999
• Molecular Formula: C26H27N3O3
• Molecular Weight: 429.52 g/mol
• Exact Mass: 429.21
• IUPAC Name: N-(3-methoxyphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide
• SMILES: COc1cccc(NC(=O)c2ccc(N3CCCN(Cc4ccc(C)cc4)C3=O)cc2)c1
• InChI: InChI=1S/C26H27N3O3/c1-19-7-9-20(10-8-19)18-28-15-4-16-29(26(28)31)23-13-11-21(12-14-23)25(30)27-22-5-3-6-24(17-22)32-2/h3,5-14,17H,4,15-16,18H2,1-2H3,(H,27,30)
• InChIKey: GOWMTJYZWOANCO-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 61.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	429.52
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide?

The IUPAC name of N-(3-methoxyphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide (CID 50813999) is N-(3-methoxyphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide.

What is the SMILES notation for N-(3-methoxyphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide?

The canonical SMILES for N-(3-methoxyphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide is COc1cccc(NC(=O)c2ccc(N3CCCN(Cc4ccc(C)cc4)C3=O)cc2)c1.

What is the InChIKey of N-(3-methoxyphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide?

The InChIKey is GOWMTJYZWOANCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-19-7-9-20(10-8-19)18-28-15-4-16-29(26(28)31)23-13-11-21(12-14-23)25(30)27-22-5-3-6-24(17-22)32-2/h3,5-14,17H,4,15-16,18H2,1-2H3,(H,27,30).

What are the key properties of N-(3-methoxyphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide?

N-(3-methoxyphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide has a molecular weight of 429.52 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-methoxyphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide is sourced from PubChem (CID 50813999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).