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

C24H29F2N3O2 — CID 46070351

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

N-[2-[3-[(3,4-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-3,3-dimethylbutanamide (PubChem CID 46070351) has the molecular formula C24H29F2N3O2 and a molecular weight of 429.51 g/mol. Its IUPAC name is N-[2-[3-[(3,4-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-3,3-dimethylbutanamide.

Molecular Properties

• Compound Name: N-[2-[3-[(3,4-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-3,3-dimethylbutanamide
• PubChem CID: 46070351
• Molecular Formula: C24H29F2N3O2
• Molecular Weight: 429.51 g/mol
• Exact Mass: 429.22
• IUPAC Name: N-[2-[3-[(3,4-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-3,3-dimethylbutanamide
• SMILES: Cc1ccc(N2CCCN(Cc3ccc(F)c(F)c3)C2=O)c(NC(=O)CC(C)(C)C)c1
• InChI: InChI=1S/C24H29F2N3O2/c1-16-6-9-21(20(12-16)27-22(30)14-24(2,3)4)29-11-5-10-28(23(29)31)15-17-7-8-18(25)19(26)13-17/h6-9,12-13H,5,10-11,14-15H2,1-4H3,(H,27,30)
• InChIKey: DJZGESWYBNYDPU-UHFFFAOYSA-N
• XLogP: 5.48
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	429.51
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of N-[2-[3-[(3,4-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-3,3-dimethylbutanamide (CID 46070351) is N-[2-[3-[(3,4-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-3,3-dimethylbutanamide.

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

The canonical SMILES for N-[2-[3-[(3,4-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-3,3-dimethylbutanamide is Cc1ccc(N2CCCN(Cc3ccc(F)c(F)c3)C2=O)c(NC(=O)CC(C)(C)C)c1.

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

The InChIKey is DJZGESWYBNYDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F2N3O2/c1-16-6-9-21(20(12-16)27-22(30)14-24(2,3)4)29-11-5-10-28(23(29)31)15-17-7-8-18(25)19(26)13-17/h6-9,12-13H,5,10-11,14-15H2,1-4H3,(H,27,30).

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

N-[2-[3-[(3,4-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-3,3-dimethylbutanamide has a molecular weight of 429.51 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-[(3,4-difluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-5-methylphenyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 46070351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).