2-amino-2-[4-(dimethylamino)phenyl]-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-3-phenylpropanamide

C26H26N4O3 — CID 143706408

About 2-amino-2-[4-(dimethylamino)phenyl]-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-3-phenylpropanamide

2-amino-2-[4-(dimethylamino)phenyl]-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-3-phenylpropanamide (PubChem CID 143706408) has the molecular formula C26H26N4O3 and a molecular weight of 442.52 g/mol. Its IUPAC name is 2-amino-2-[4-(dimethylamino)phenyl]-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-3-phenylpropanamide.

Molecular Properties

• Compound Name: 2-amino-2-[4-(dimethylamino)phenyl]-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-3-phenylpropanamide
• PubChem CID: 143706408
• Molecular Formula: C26H26N4O3
• Molecular Weight: 442.52 g/mol
• Exact Mass: 442.20
• IUPAC Name: 2-amino-2-[4-(dimethylamino)phenyl]-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-3-phenylpropanamide
• SMILES: Cc1noc(=O)c2ccc(NC(=O)C(N)(Cc3ccccc3)c3ccc(N(C)C)cc3)cc12
• InChI: InChI=1S/C26H26N4O3/c1-17-23-15-20(11-14-22(23)24(31)33-29-17)28-25(32)26(27,16-18-7-5-4-6-8-18)19-9-12-21(13-10-19)30(2)3/h4-15H,16,27H2,1-3H3,(H,28,32)
• InChIKey: WGKBZWGUGXHGRY-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 101.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.52
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[4-(dimethylamino)phenyl]-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-3-phenylpropanamide?

The IUPAC name of 2-amino-2-[4-(dimethylamino)phenyl]-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-3-phenylpropanamide (CID 143706408) is 2-amino-2-[4-(dimethylamino)phenyl]-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-3-phenylpropanamide.

What is the SMILES notation for 2-amino-2-[4-(dimethylamino)phenyl]-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-3-phenylpropanamide?

The canonical SMILES for 2-amino-2-[4-(dimethylamino)phenyl]-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-3-phenylpropanamide is Cc1noc(=O)c2ccc(NC(=O)C(N)(Cc3ccccc3)c3ccc(N(C)C)cc3)cc12.

What is the InChIKey of 2-amino-2-[4-(dimethylamino)phenyl]-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-3-phenylpropanamide?

The InChIKey is WGKBZWGUGXHGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3/c1-17-23-15-20(11-14-22(23)24(31)33-29-17)28-25(32)26(27,16-18-7-5-4-6-8-18)19-9-12-21(13-10-19)30(2)3/h4-15H,16,27H2,1-3H3,(H,28,32).

What are the key properties of 2-amino-2-[4-(dimethylamino)phenyl]-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-3-phenylpropanamide?

2-amino-2-[4-(dimethylamino)phenyl]-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-3-phenylpropanamide has a molecular weight of 442.52 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-2-[4-(dimethylamino)phenyl]-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-3-phenylpropanamide is sourced from PubChem (CID 143706408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).