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

C28H31N3O2 — CID 46070542

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

N-[2-[3-[(3,5-dimethylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-2-phenylacetamide (PubChem CID 46070542) has the molecular formula C28H31N3O2 and a molecular weight of 441.58 g/mol. Its IUPAC name is N-[2-[3-[(3,5-dimethylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-2-phenylacetamide.

Molecular Properties

• Compound Name: N-[2-[3-[(3,5-dimethylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-2-phenylacetamide
• PubChem CID: 46070542
• Molecular Formula: C28H31N3O2
• Molecular Weight: 441.58 g/mol
• Exact Mass: 441.24
• IUPAC Name: N-[2-[3-[(3,5-dimethylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-2-phenylacetamide
• SMILES: Cc1cc(C)cc(CN2CCCN(c3ccc(C)cc3NC(=O)Cc3ccccc3)C2=O)c1
• InChI: InChI=1S/C28H31N3O2/c1-20-10-11-26(25(17-20)29-27(32)18-23-8-5-4-6-9-23)31-13-7-12-30(28(31)33)19-24-15-21(2)14-22(3)16-24/h4-6,8-11,14-17H,7,12-13,18-19H2,1-3H3,(H,29,32)
• InChIKey: RTNDRZYXPGWOGB-UHFFFAOYSA-N
• XLogP: 5.63
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	441.58
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of N-[2-[3-[(3,5-dimethylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-2-phenylacetamide (CID 46070542) is N-[2-[3-[(3,5-dimethylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-2-phenylacetamide.

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

The canonical SMILES for N-[2-[3-[(3,5-dimethylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-2-phenylacetamide is Cc1cc(C)cc(CN2CCCN(c3ccc(C)cc3NC(=O)Cc3ccccc3)C2=O)c1.

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

The InChIKey is RTNDRZYXPGWOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O2/c1-20-10-11-26(25(17-20)29-27(32)18-23-8-5-4-6-9-23)31-13-7-12-30(28(31)33)19-24-15-21(2)14-22(3)16-24/h4-6,8-11,14-17H,7,12-13,18-19H2,1-3H3,(H,29,32).

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

N-[2-[3-[(3,5-dimethylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-2-phenylacetamide has a molecular weight of 441.58 g/mol, XLogP of 5.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-[(3,5-dimethylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-2-phenylacetamide is sourced from PubChem (CID 46070542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).