4-[[4-(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]-N-methyl-N-[2-(methylamino)ethyl]benzamide

C26H32N8O4 — CID 56683916

About 4-[[4-(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]-N-methyl-N-[2-(methylamino)ethyl]benzamide

4-[[4-(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]-N-methyl-N-[2-(methylamino)ethyl]benzamide (PubChem CID 56683916) has the molecular formula C26H32N8O4 and a molecular weight of 520.59 g/mol. Its IUPAC name is 4-[[4-(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]-N-methyl-N-[2-(methylamino)ethyl]benzamide.

Molecular Properties

• Compound Name: 4-[[4-(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]-N-methyl-N-[2-(methylamino)ethyl]benzamide
• PubChem CID: 56683916
• Molecular Formula: C26H32N8O4
• Molecular Weight: 520.59 g/mol
• Exact Mass: 520.25
• IUPAC Name: 4-[[4-(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]-N-methyl-N-[2-(methylamino)ethyl]benzamide
• SMILES: CNCCN(C)C(=O)c1ccc(NC(=O)Nc2ccc(-c3nc(OC)nc(N4CCOCC4)n3)cc2)cc1
• InChI: InChI=1S/C26H32N8O4/c1-27-12-13-33(2)23(35)19-6-10-21(11-7-19)29-25(36)28-20-8-4-18(5-9-20)22-30-24(32-26(31-22)37-3)34-14-16-38-17-15-34/h4-11,27H,12-17H2,1-3H3,(H2,28,29,36)
• InChIKey: BSEOICSDTQOYIW-UHFFFAOYSA-N
• XLogP: 2.32
• TPSA: 133.84 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.59
LogP ≤ 5	2.32
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]-N-methyl-N-[2-(methylamino)ethyl]benzamide?

The IUPAC name of 4-[[4-(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]-N-methyl-N-[2-(methylamino)ethyl]benzamide (CID 56683916) is 4-[[4-(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]-N-methyl-N-[2-(methylamino)ethyl]benzamide.

What is the SMILES notation for 4-[[4-(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]-N-methyl-N-[2-(methylamino)ethyl]benzamide?

The canonical SMILES for 4-[[4-(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]-N-methyl-N-[2-(methylamino)ethyl]benzamide is CNCCN(C)C(=O)c1ccc(NC(=O)Nc2ccc(-c3nc(OC)nc(N4CCOCC4)n3)cc2)cc1.

What is the InChIKey of 4-[[4-(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]-N-methyl-N-[2-(methylamino)ethyl]benzamide?

The InChIKey is BSEOICSDTQOYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N8O4/c1-27-12-13-33(2)23(35)19-6-10-21(11-7-19)29-25(36)28-20-8-4-18(5-9-20)22-30-24(32-26(31-22)37-3)34-14-16-38-17-15-34/h4-11,27H,12-17H2,1-3H3,(H2,28,29,36).

What are the key properties of 4-[[4-(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]-N-methyl-N-[2-(methylamino)ethyl]benzamide?

4-[[4-(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]-N-methyl-N-[2-(methylamino)ethyl]benzamide has a molecular weight of 520.59 g/mol, XLogP of 2.32, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[4-(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]-N-methyl-N-[2-(methylamino)ethyl]benzamide is sourced from PubChem (CID 56683916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).