10-[(2-bromophenyl)methyl]-N-cyclohexyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide

C24H26BrN3O3 — CID 50756482

About 10-[(2-bromophenyl)methyl]-N-cyclohexyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide

10-[(2-bromophenyl)methyl]-N-cyclohexyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (PubChem CID 50756482) has the molecular formula C24H26BrN3O3 and a molecular weight of 484.39 g/mol. Its IUPAC name is 10-[(2-bromophenyl)methyl]-N-cyclohexyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide.

Molecular Properties

• Compound Name: 10-[(2-bromophenyl)methyl]-N-cyclohexyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
• PubChem CID: 50756482
• Molecular Formula: C24H26BrN3O3
• Molecular Weight: 484.39 g/mol
• Exact Mass: 483.12
• IUPAC Name: 10-[(2-bromophenyl)methyl]-N-cyclohexyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
• SMILES: CC1(C(=O)NC2CCCCC2)Cn2c(cc3occc32)C(=O)N1Cc1ccccc1Br
• InChI: InChI=1S/C24H26BrN3O3/c1-24(23(30)26-17-8-3-2-4-9-17)15-27-19-11-12-31-21(19)13-20(27)22(29)28(24)14-16-7-5-6-10-18(16)25/h5-7,10-13,17H,2-4,8-9,14-15H2,1H3,(H,26,30)
• InChIKey: PESJWCMJXWTSNY-UHFFFAOYSA-N
• XLogP: 4.86
• TPSA: 67.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.39
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 10-[(2-bromophenyl)methyl]-N-cyclohexyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?

The IUPAC name of 10-[(2-bromophenyl)methyl]-N-cyclohexyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (CID 50756482) is 10-[(2-bromophenyl)methyl]-N-cyclohexyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide.

What is the SMILES notation for 10-[(2-bromophenyl)methyl]-N-cyclohexyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?

The canonical SMILES for 10-[(2-bromophenyl)methyl]-N-cyclohexyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide is CC1(C(=O)NC2CCCCC2)Cn2c(cc3occc32)C(=O)N1Cc1ccccc1Br.

What is the InChIKey of 10-[(2-bromophenyl)methyl]-N-cyclohexyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?

The InChIKey is PESJWCMJXWTSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26BrN3O3/c1-24(23(30)26-17-8-3-2-4-9-17)15-27-19-11-12-31-21(19)13-20(27)22(29)28(24)14-16-7-5-6-10-18(16)25/h5-7,10-13,17H,2-4,8-9,14-15H2,1H3,(H,26,30).

What are the key properties of 10-[(2-bromophenyl)methyl]-N-cyclohexyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide?

10-[(2-bromophenyl)methyl]-N-cyclohexyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide has a molecular weight of 484.39 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[(2-bromophenyl)methyl]-N-cyclohexyl-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide is sourced from PubChem (CID 50756482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).