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

C29H33N3O3 — CID 46069673

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

2-(4-methoxyphenyl)-N-[4-[2-oxo-3-[(4-propan-2-ylphenyl)methyl]-1,3-diazinan-1-yl]phenyl]acetamide (PubChem CID 46069673) has the molecular formula C29H33N3O3 and a molecular weight of 471.60 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[4-[2-oxo-3-[(4-propan-2-ylphenyl)methyl]-1,3-diazinan-1-yl]phenyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-methoxyphenyl)-N-[4-[2-oxo-3-[(4-propan-2-ylphenyl)methyl]-1,3-diazinan-1-yl]phenyl]acetamide
• PubChem CID: 46069673
• Molecular Formula: C29H33N3O3
• Molecular Weight: 471.60 g/mol
• Exact Mass: 471.25
• IUPAC Name: 2-(4-methoxyphenyl)-N-[4-[2-oxo-3-[(4-propan-2-ylphenyl)methyl]-1,3-diazinan-1-yl]phenyl]acetamide
• SMILES: COc1ccc(CC(=O)Nc2ccc(N3CCCN(Cc4ccc(C(C)C)cc4)C3=O)cc2)cc1
• InChI: InChI=1S/C29H33N3O3/c1-21(2)24-9-5-23(6-10-24)20-31-17-4-18-32(29(31)34)26-13-11-25(12-14-26)30-28(33)19-22-7-15-27(35-3)16-8-22/h5-16,21H,4,17-20H2,1-3H3,(H,30,33)
• InChIKey: XGNAZIHCFMCFAG-UHFFFAOYSA-N
• XLogP: 5.83
• TPSA: 61.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.60
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 2-(4-methoxyphenyl)-N-[4-[2-oxo-3-[(4-propan-2-ylphenyl)methyl]-1,3-diazinan-1-yl]phenyl]acetamide (CID 46069673) is 2-(4-methoxyphenyl)-N-[4-[2-oxo-3-[(4-propan-2-ylphenyl)methyl]-1,3-diazinan-1-yl]phenyl]acetamide.

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

The canonical SMILES for 2-(4-methoxyphenyl)-N-[4-[2-oxo-3-[(4-propan-2-ylphenyl)methyl]-1,3-diazinan-1-yl]phenyl]acetamide is COc1ccc(CC(=O)Nc2ccc(N3CCCN(Cc4ccc(C(C)C)cc4)C3=O)cc2)cc1.

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

The InChIKey is XGNAZIHCFMCFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O3/c1-21(2)24-9-5-23(6-10-24)20-31-17-4-18-32(29(31)34)26-13-11-25(12-14-26)30-28(33)19-22-7-15-27(35-3)16-8-22/h5-16,21H,4,17-20H2,1-3H3,(H,30,33).

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

2-(4-methoxyphenyl)-N-[4-[2-oxo-3-[(4-propan-2-ylphenyl)methyl]-1,3-diazinan-1-yl]phenyl]acetamide has a molecular weight of 471.60 g/mol, XLogP of 5.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-methoxyphenyl)-N-[4-[2-oxo-3-[(4-propan-2-ylphenyl)methyl]-1,3-diazinan-1-yl]phenyl]acetamide is sourced from PubChem (CID 46069673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).