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

C26H27N3O3 — CID 46070051

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

N-[3-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-phenylacetamide (PubChem CID 46070051) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-[3-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-phenylacetamide.

Molecular Properties

• Compound Name: N-[3-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-phenylacetamide
• PubChem CID: 46070051
• Molecular Formula: C26H27N3O3
• Molecular Weight: 429.52 g/mol
• Exact Mass: 429.21
• IUPAC Name: N-[3-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-phenylacetamide
• SMILES: COc1ccc(CN2CCCN(c3cccc(NC(=O)Cc4ccccc4)c3)C2=O)cc1
• InChI: InChI=1S/C26H27N3O3/c1-32-24-13-11-21(12-14-24)19-28-15-6-16-29(26(28)31)23-10-5-9-22(18-23)27-25(30)17-20-7-3-2-4-8-20/h2-5,7-14,18H,6,15-17,19H2,1H3,(H,27,30)
• InChIKey: CKRMEGJNFAGHSW-UHFFFAOYSA-N
• XLogP: 4.71
• TPSA: 61.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.52
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-[3-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-phenylacetamide (CID 46070051) is N-[3-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-phenylacetamide.

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

The canonical SMILES for N-[3-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-phenylacetamide is COc1ccc(CN2CCCN(c3cccc(NC(=O)Cc4ccccc4)c3)C2=O)cc1.

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

The InChIKey is CKRMEGJNFAGHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-32-24-13-11-21(12-14-24)19-28-15-6-16-29(26(28)31)23-10-5-9-22(18-23)27-25(30)17-20-7-3-2-4-8-20/h2-5,7-14,18H,6,15-17,19H2,1H3,(H,27,30).

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

N-[3-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-phenylacetamide has a molecular weight of 429.52 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-phenylacetamide is sourced from PubChem (CID 46070051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).