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

C28H31N3O4 — CID 46070481

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

N-[2-[3-[(3,5-dimethoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-2-phenylacetamide (PubChem CID 46070481) has the molecular formula C28H31N3O4 and a molecular weight of 473.57 g/mol. Its IUPAC name is N-[2-[3-[(3,5-dimethoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-2-phenylacetamide.

Molecular Properties

• Compound Name: N-[2-[3-[(3,5-dimethoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-2-phenylacetamide
• PubChem CID: 46070481
• Molecular Formula: C28H31N3O4
• Molecular Weight: 473.57 g/mol
• Exact Mass: 473.23
• IUPAC Name: N-[2-[3-[(3,5-dimethoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-2-phenylacetamide
• SMILES: COc1cc(CN2CCCN(c3ccc(C)cc3NC(=O)Cc3ccccc3)C2=O)cc(OC)c1
• InChI: InChI=1S/C28H31N3O4/c1-20-10-11-26(25(14-20)29-27(32)17-21-8-5-4-6-9-21)31-13-7-12-30(28(31)33)19-22-15-23(34-2)18-24(16-22)35-3/h4-6,8-11,14-16,18H,7,12-13,17,19H2,1-3H3,(H,29,32)
• InChIKey: JNLRLCASNZMWRV-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 71.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.57
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

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-phenylacetamide?

The IUPAC name of N-[2-[3-[(3,5-dimethoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-2-phenylacetamide (CID 46070481) is N-[2-[3-[(3,5-dimethoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-2-phenylacetamide.

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

The canonical SMILES for N-[2-[3-[(3,5-dimethoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-2-phenylacetamide is COc1cc(CN2CCCN(c3ccc(C)cc3NC(=O)Cc3ccccc3)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-phenylacetamide?

The InChIKey is JNLRLCASNZMWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O4/c1-20-10-11-26(25(14-20)29-27(32)17-21-8-5-4-6-9-21)31-13-7-12-30(28(31)33)19-22-15-23(34-2)18-24(16-22)35-3/h4-6,8-11,14-16,18H,7,12-13,17,19H2,1-3H3,(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-phenylacetamide?

N-[2-[3-[(3,5-dimethoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-2-phenylacetamide has a molecular weight of 473.57 g/mol, XLogP of 5.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 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-phenylacetamide is sourced from PubChem (CID 46070481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).