2-(dimethylamino)-N-[4-[4-[3-[1-[4-[[2-(dimethylamino)acetyl]amino]phenyl]triazol-4-yl]phenyl]triazol-1-yl]phenyl]acetamide

C30H32N10O2 — CID 24963748

About 2-(dimethylamino)-N-[4-[4-[3-[1-[4-[[2-(dimethylamino)acetyl]amino]phenyl]triazol-4-yl]phenyl]triazol-1-yl]phenyl]acetamide

2-(dimethylamino)-N-[4-[4-[3-[1-[4-[[2-(dimethylamino)acetyl]amino]phenyl]triazol-4-yl]phenyl]triazol-1-yl]phenyl]acetamide (PubChem CID 24963748) has the molecular formula C30H32N10O2 and a molecular weight of 564.65 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[4-[4-[3-[1-[4-[[2-(dimethylamino)acetyl]amino]phenyl]triazol-4-yl]phenyl]triazol-1-yl]phenyl]acetamide.

Molecular Properties

• Compound Name: 2-(dimethylamino)-N-[4-[4-[3-[1-[4-[[2-(dimethylamino)acetyl]amino]phenyl]triazol-4-yl]phenyl]triazol-1-yl]phenyl]acetamide
• PubChem CID: 24963748
• Molecular Formula: C30H32N10O2
• Molecular Weight: 564.65 g/mol
• Exact Mass: 564.27
• IUPAC Name: 2-(dimethylamino)-N-[4-[4-[3-[1-[4-[[2-(dimethylamino)acetyl]amino]phenyl]triazol-4-yl]phenyl]triazol-1-yl]phenyl]acetamide
• SMILES: CN(C)CC(=O)Nc1ccc(-n2cc(-c3cccc(-c4cn(-c5ccc(NC(=O)CN(C)C)cc5)nn4)c3)nn2)cc1
• InChI: InChI=1S/C30H32N10O2/c1-37(2)19-29(41)31-23-8-12-25(13-9-23)39-17-27(33-35-39)21-6-5-7-22(16-21)28-18-40(36-34-28)26-14-10-24(11-15-26)32-30(42)20-38(3)4/h5-18H,19-20H2,1-4H3,(H,31,41)(H,32,42)
• InChIKey: QPQWKJBVQLHFPB-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 126.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	564.65
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[4-[4-[3-[1-[4-[[2-(dimethylamino)acetyl]amino]phenyl]triazol-4-yl]phenyl]triazol-1-yl]phenyl]acetamide?

The IUPAC name of 2-(dimethylamino)-N-[4-[4-[3-[1-[4-[[2-(dimethylamino)acetyl]amino]phenyl]triazol-4-yl]phenyl]triazol-1-yl]phenyl]acetamide (CID 24963748) is 2-(dimethylamino)-N-[4-[4-[3-[1-[4-[[2-(dimethylamino)acetyl]amino]phenyl]triazol-4-yl]phenyl]triazol-1-yl]phenyl]acetamide.

What is the SMILES notation for 2-(dimethylamino)-N-[4-[4-[3-[1-[4-[[2-(dimethylamino)acetyl]amino]phenyl]triazol-4-yl]phenyl]triazol-1-yl]phenyl]acetamide?

The canonical SMILES for 2-(dimethylamino)-N-[4-[4-[3-[1-[4-[[2-(dimethylamino)acetyl]amino]phenyl]triazol-4-yl]phenyl]triazol-1-yl]phenyl]acetamide is CN(C)CC(=O)Nc1ccc(-n2cc(-c3cccc(-c4cn(-c5ccc(NC(=O)CN(C)C)cc5)nn4)c3)nn2)cc1.

What is the InChIKey of 2-(dimethylamino)-N-[4-[4-[3-[1-[4-[[2-(dimethylamino)acetyl]amino]phenyl]triazol-4-yl]phenyl]triazol-1-yl]phenyl]acetamide?

The InChIKey is QPQWKJBVQLHFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N10O2/c1-37(2)19-29(41)31-23-8-12-25(13-9-23)39-17-27(33-35-39)21-6-5-7-22(16-21)28-18-40(36-34-28)26-14-10-24(11-15-26)32-30(42)20-38(3)4/h5-18H,19-20H2,1-4H3,(H,31,41)(H,32,42).

What are the key properties of 2-(dimethylamino)-N-[4-[4-[3-[1-[4-[[2-(dimethylamino)acetyl]amino]phenyl]triazol-4-yl]phenyl]triazol-1-yl]phenyl]acetamide?

2-(dimethylamino)-N-[4-[4-[3-[1-[4-[[2-(dimethylamino)acetyl]amino]phenyl]triazol-4-yl]phenyl]triazol-1-yl]phenyl]acetamide has a molecular weight of 564.65 g/mol, XLogP of 3.18, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(dimethylamino)-N-[4-[4-[3-[1-[4-[[2-(dimethylamino)acetyl]amino]phenyl]triazol-4-yl]phenyl]triazol-1-yl]phenyl]acetamide is sourced from PubChem (CID 24963748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).