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

C27H29N3O3 — CID 46069929

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

2-(4-methoxyphenyl)-N-[3-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]acetamide (PubChem CID 46069929) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[3-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-methoxyphenyl)-N-[3-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]acetamide
• PubChem CID: 46069929
• Molecular Formula: C27H29N3O3
• Molecular Weight: 443.55 g/mol
• Exact Mass: 443.22
• IUPAC Name: 2-(4-methoxyphenyl)-N-[3-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]acetamide
• SMILES: COc1ccc(CC(=O)Nc2cccc(N3CCCN(Cc4ccc(C)cc4)C3=O)c2)cc1
• InChI: InChI=1S/C27H29N3O3/c1-20-7-9-22(10-8-20)19-29-15-4-16-30(27(29)32)24-6-3-5-23(18-24)28-26(31)17-21-11-13-25(33-2)14-12-21/h3,5-14,18H,4,15-17,19H2,1-2H3,(H,28,31)
• InChIKey: VZWXWMHZLJNNER-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 61.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	443.55
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 2-(4-methoxyphenyl)-N-[3-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]acetamide (CID 46069929) is 2-(4-methoxyphenyl)-N-[3-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]acetamide.

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

The canonical SMILES for 2-(4-methoxyphenyl)-N-[3-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]acetamide is COc1ccc(CC(=O)Nc2cccc(N3CCCN(Cc4ccc(C)cc4)C3=O)c2)cc1.

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

The InChIKey is VZWXWMHZLJNNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3/c1-20-7-9-22(10-8-20)19-29-15-4-16-30(27(29)32)24-6-3-5-23(18-24)28-26(31)17-21-11-13-25(33-2)14-12-21/h3,5-14,18H,4,15-17,19H2,1-2H3,(H,28,31).

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

2-(4-methoxyphenyl)-N-[3-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]acetamide has a molecular weight of 443.55 g/mol, XLogP of 5.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-methoxyphenyl)-N-[3-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]acetamide is sourced from PubChem (CID 46069929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).