4-(dimethylamino)-N-[[5-[(N-methylanilino)methyl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]benzamide

C25H34N4O — CID 74736070

About 4-(dimethylamino)-N-[[5-[(N-methylanilino)methyl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]benzamide

4-(dimethylamino)-N-[[5-[(N-methylanilino)methyl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]benzamide (PubChem CID 74736070) has the molecular formula C25H34N4O and a molecular weight of 406.57 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[[5-[(N-methylanilino)methyl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]benzamide.

Molecular Properties

• Compound Name: 4-(dimethylamino)-N-[[5-[(N-methylanilino)methyl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]benzamide
• PubChem CID: 74736070
• Molecular Formula: C25H34N4O
• Molecular Weight: 406.57 g/mol
• Exact Mass: 406.27
• IUPAC Name: 4-(dimethylamino)-N-[[5-[(N-methylanilino)methyl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]benzamide
• SMILES: CN(C)c1ccc(C(=O)NCC2CC3CCN2CC3CN(C)c2ccccc2)cc1
• InChI: InChI=1S/C25H34N4O/c1-27(2)22-11-9-19(10-12-22)25(30)26-16-24-15-20-13-14-29(24)18-21(20)17-28(3)23-7-5-4-6-8-23/h4-12,20-21,24H,13-18H2,1-3H3,(H,26,30)
• InChIKey: RTFIDSZPIYAPHQ-UHFFFAOYSA-N
• XLogP: 3.33
• TPSA: 38.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.57
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[[5-[(N-methylanilino)methyl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]benzamide?

The IUPAC name of 4-(dimethylamino)-N-[[5-[(N-methylanilino)methyl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]benzamide (CID 74736070) is 4-(dimethylamino)-N-[[5-[(N-methylanilino)methyl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]benzamide.

What is the SMILES notation for 4-(dimethylamino)-N-[[5-[(N-methylanilino)methyl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]benzamide?

The canonical SMILES for 4-(dimethylamino)-N-[[5-[(N-methylanilino)methyl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]benzamide is CN(C)c1ccc(C(=O)NCC2CC3CCN2CC3CN(C)c2ccccc2)cc1.

What is the InChIKey of 4-(dimethylamino)-N-[[5-[(N-methylanilino)methyl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]benzamide?

The InChIKey is RTFIDSZPIYAPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O/c1-27(2)22-11-9-19(10-12-22)25(30)26-16-24-15-20-13-14-29(24)18-21(20)17-28(3)23-7-5-4-6-8-23/h4-12,20-21,24H,13-18H2,1-3H3,(H,26,30).

What are the key properties of 4-(dimethylamino)-N-[[5-[(N-methylanilino)methyl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]benzamide?

4-(dimethylamino)-N-[[5-[(N-methylanilino)methyl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]benzamide has a molecular weight of 406.57 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(dimethylamino)-N-[[5-[(N-methylanilino)methyl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]benzamide is sourced from PubChem (CID 74736070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).