N-[2-[3-[(4-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-3,3-dimethylbutanamide

C24H30ClN3O2 — CID 46070651

About N-[2-[3-[(4-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-3,3-dimethylbutanamide

N-[2-[3-[(4-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-3,3-dimethylbutanamide (PubChem CID 46070651) has the molecular formula C24H30ClN3O2 and a molecular weight of 427.98 g/mol. Its IUPAC name is N-[2-[3-[(4-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-3,3-dimethylbutanamide.

Molecular Properties

• Compound Name: N-[2-[3-[(4-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-3,3-dimethylbutanamide
• PubChem CID: 46070651
• Molecular Formula: C24H30ClN3O2
• Molecular Weight: 427.98 g/mol
• Exact Mass: 427.20
• IUPAC Name: N-[2-[3-[(4-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-3,3-dimethylbutanamide
• SMILES: Cc1ccc(N2CCCN(Cc3ccc(Cl)cc3)C2=O)c(NC(=O)CC(C)(C)C)c1
• InChI: InChI=1S/C24H30ClN3O2/c1-17-6-11-21(20(14-17)26-22(29)15-24(2,3)4)28-13-5-12-27(23(28)30)16-18-7-9-19(25)10-8-18/h6-11,14H,5,12-13,15-16H2,1-4H3,(H,26,29)
• InChIKey: GVEJIIQXUANKBW-UHFFFAOYSA-N
• XLogP: 5.86
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	427.98
LogP ≤ 5	5.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[(4-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-3,3-dimethylbutanamide?

The IUPAC name of N-[2-[3-[(4-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-3,3-dimethylbutanamide (CID 46070651) is N-[2-[3-[(4-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-3,3-dimethylbutanamide.

What is the SMILES notation for N-[2-[3-[(4-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-3,3-dimethylbutanamide?

The canonical SMILES for N-[2-[3-[(4-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-3,3-dimethylbutanamide is Cc1ccc(N2CCCN(Cc3ccc(Cl)cc3)C2=O)c(NC(=O)CC(C)(C)C)c1.

What is the InChIKey of N-[2-[3-[(4-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-3,3-dimethylbutanamide?

The InChIKey is GVEJIIQXUANKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O2/c1-17-6-11-21(20(14-17)26-22(29)15-24(2,3)4)28-13-5-12-27(23(28)30)16-18-7-9-19(25)10-8-18/h6-11,14H,5,12-13,15-16H2,1-4H3,(H,26,29).

What are the key properties of N-[2-[3-[(4-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-3,3-dimethylbutanamide?

N-[2-[3-[(4-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-3,3-dimethylbutanamide has a molecular weight of 427.98 g/mol, XLogP of 5.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-[(4-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 46070651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).