N-[2-[3-[(3,5-dimethylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-phenylacetamide

C27H29N3O2 — CID 42868771

About N-[2-[3-[(3,5-dimethylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-phenylacetamide

N-[2-[3-[(3,5-dimethylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-phenylacetamide (PubChem CID 42868771) has the molecular formula C27H29N3O2 and a molecular weight of 427.55 g/mol. Its IUPAC name is N-[2-[3-[(3,5-dimethylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-phenylacetamide.

Molecular Properties

• Compound Name: N-[2-[3-[(3,5-dimethylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-phenylacetamide
• PubChem CID: 42868771
• Molecular Formula: C27H29N3O2
• Molecular Weight: 427.55 g/mol
• Exact Mass: 427.23
• IUPAC Name: N-[2-[3-[(3,5-dimethylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-phenylacetamide
• SMILES: Cc1cc(C)cc(CN2CCCN(c3ccccc3NC(=O)Cc3ccccc3)C2=O)c1
• InChI: InChI=1S/C27H29N3O2/c1-20-15-21(2)17-23(16-20)19-29-13-8-14-30(27(29)32)25-12-7-6-11-24(25)28-26(31)18-22-9-4-3-5-10-22/h3-7,9-12,15-17H,8,13-14,18-19H2,1-2H3,(H,28,31)
• InChIKey: LYKQXSWJKDPFNX-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	427.55
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[(3,5-dimethylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-phenylacetamide?

The IUPAC name of N-[2-[3-[(3,5-dimethylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-phenylacetamide (CID 42868771) is N-[2-[3-[(3,5-dimethylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-phenylacetamide.

What is the SMILES notation for N-[2-[3-[(3,5-dimethylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-phenylacetamide?

The canonical SMILES for N-[2-[3-[(3,5-dimethylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-phenylacetamide is Cc1cc(C)cc(CN2CCCN(c3ccccc3NC(=O)Cc3ccccc3)C2=O)c1.

What is the InChIKey of N-[2-[3-[(3,5-dimethylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-phenylacetamide?

The InChIKey is LYKQXSWJKDPFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O2/c1-20-15-21(2)17-23(16-20)19-29-13-8-14-30(27(29)32)25-12-7-6-11-24(25)28-26(31)18-22-9-4-3-5-10-22/h3-7,9-12,15-17H,8,13-14,18-19H2,1-2H3,(H,28,31).

What are the key properties of N-[2-[3-[(3,5-dimethylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-phenylacetamide?

N-[2-[3-[(3,5-dimethylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-phenylacetamide has a molecular weight of 427.55 g/mol, XLogP of 5.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-[(3,5-dimethylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-phenylacetamide is sourced from PubChem (CID 42868771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).