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

C25H28ClN3O4 — CID 71172274

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

10-(5-chloro-2-methoxyphenyl)-11-methyl-N-(2-methylcyclohexyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (PubChem CID 71172274) has the molecular formula C25H28ClN3O4 and a molecular weight of 469.97 g/mol. Its IUPAC name is 10-(5-chloro-2-methoxyphenyl)-11-methyl-N-(2-methylcyclohexyl)-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-(5-chloro-2-methoxyphenyl)-11-methyl-N-(2-methylcyclohexyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
• PubChem CID: 71172274
• Molecular Formula: C25H28ClN3O4
• Molecular Weight: 469.97 g/mol
• Exact Mass: 469.18
• IUPAC Name: 10-(5-chloro-2-methoxyphenyl)-11-methyl-N-(2-methylcyclohexyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
• SMILES: COc1ccc(Cl)cc1N1C(=O)c2cc3occc3n2CC1(C)C(=O)NC1CCCCC1C
• InChI: InChI=1S/C25H28ClN3O4/c1-15-6-4-5-7-17(15)27-24(31)25(2)14-28-18-10-11-33-22(18)13-20(28)23(30)29(25)19-12-16(26)8-9-21(19)32-3/h8-13,15,17H,4-7,14H2,1-3H3,(H,27,31)
• InChIKey: BPSPUKSCUHRJBR-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 76.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.97
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 10-(5-chloro-2-methoxyphenyl)-11-methyl-N-(2-methylcyclohexyl)-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-(5-chloro-2-methoxyphenyl)-11-methyl-N-(2-methylcyclohexyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (CID 71172274) is 10-(5-chloro-2-methoxyphenyl)-11-methyl-N-(2-methylcyclohexyl)-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-(5-chloro-2-methoxyphenyl)-11-methyl-N-(2-methylcyclohexyl)-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-(5-chloro-2-methoxyphenyl)-11-methyl-N-(2-methylcyclohexyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide is COc1ccc(Cl)cc1N1C(=O)c2cc3occc3n2CC1(C)C(=O)NC1CCCCC1C.

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

The InChIKey is BPSPUKSCUHRJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN3O4/c1-15-6-4-5-7-17(15)27-24(31)25(2)14-28-18-10-11-33-22(18)13-20(28)23(30)29(25)19-12-16(26)8-9-21(19)32-3/h8-13,15,17H,4-7,14H2,1-3H3,(H,27,31).

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

10-(5-chloro-2-methoxyphenyl)-11-methyl-N-(2-methylcyclohexyl)-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 469.97 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 10-(5-chloro-2-methoxyphenyl)-11-methyl-N-(2-methylcyclohexyl)-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 71172274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).