N-[2-[3-[(3,5-dimethoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-2-methoxybenzamide

C28H31N3O5 — CID 46070487

About N-[2-[3-[(3,5-dimethoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-2-methoxybenzamide

N-[2-[3-[(3,5-dimethoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-2-methoxybenzamide (PubChem CID 46070487) has the molecular formula C28H31N3O5 and a molecular weight of 489.57 g/mol. Its IUPAC name is N-[2-[3-[(3,5-dimethoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-2-methoxybenzamide.

Molecular Properties

• Compound Name: N-[2-[3-[(3,5-dimethoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-2-methoxybenzamide
• PubChem CID: 46070487
• Molecular Formula: C28H31N3O5
• Molecular Weight: 489.57 g/mol
• Exact Mass: 489.23
• IUPAC Name: N-[2-[3-[(3,5-dimethoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-2-methoxybenzamide
• SMILES: COc1cc(CN2CCCN(c3ccc(C)cc3NC(=O)c3ccccc3OC)C2=O)cc(OC)c1
• InChI: InChI=1S/C28H31N3O5/c1-19-10-11-25(24(14-19)29-27(32)23-8-5-6-9-26(23)36-4)31-13-7-12-30(28(31)33)18-20-15-21(34-2)17-22(16-20)35-3/h5-6,8-11,14-17H,7,12-13,18H2,1-4H3,(H,29,32)
• InChIKey: INALHZAGNZQOQI-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 80.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	489.57
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[(3,5-dimethoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-2-methoxybenzamide?

The IUPAC name of N-[2-[3-[(3,5-dimethoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-2-methoxybenzamide (CID 46070487) is N-[2-[3-[(3,5-dimethoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-2-methoxybenzamide.

What is the SMILES notation for N-[2-[3-[(3,5-dimethoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-2-methoxybenzamide?

The canonical SMILES for N-[2-[3-[(3,5-dimethoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-2-methoxybenzamide is COc1cc(CN2CCCN(c3ccc(C)cc3NC(=O)c3ccccc3OC)C2=O)cc(OC)c1.

What is the InChIKey of N-[2-[3-[(3,5-dimethoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-2-methoxybenzamide?

The InChIKey is INALHZAGNZQOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O5/c1-19-10-11-25(24(14-19)29-27(32)23-8-5-6-9-26(23)36-4)31-13-7-12-30(28(31)33)18-20-15-21(34-2)17-22(16-20)35-3/h5-6,8-11,14-17H,7,12-13,18H2,1-4H3,(H,29,32).

What are the key properties of N-[2-[3-[(3,5-dimethoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-2-methoxybenzamide?

N-[2-[3-[(3,5-dimethoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-2-methoxybenzamide has a molecular weight of 489.57 g/mol, XLogP of 5.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-[(3,5-dimethoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-2-methoxybenzamide is sourced from PubChem (CID 46070487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).