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

C26H30ClN3O4 — CID 71172192

About 10-(5-chloro-2-methoxyphenyl)-N-(2,3-dimethylcyclohexyl)-11-methyl-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)-N-(2,3-dimethylcyclohexyl)-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (PubChem CID 71172192) has the molecular formula C26H30ClN3O4 and a molecular weight of 484.00 g/mol. Its IUPAC name is 10-(5-chloro-2-methoxyphenyl)-N-(2,3-dimethylcyclohexyl)-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-(5-chloro-2-methoxyphenyl)-N-(2,3-dimethylcyclohexyl)-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
• PubChem CID: 71172192
• Molecular Formula: C26H30ClN3O4
• Molecular Weight: 484.00 g/mol
• Exact Mass: 483.19
• IUPAC Name: 10-(5-chloro-2-methoxyphenyl)-N-(2,3-dimethylcyclohexyl)-11-methyl-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)NC1CCCC(C)C1C
• InChI: InChI=1S/C26H30ClN3O4/c1-15-6-5-7-18(16(15)2)28-25(32)26(3)14-29-19-10-11-34-23(19)13-21(29)24(31)30(26)20-12-17(27)8-9-22(20)33-4/h8-13,15-16,18H,5-7,14H2,1-4H3,(H,28,32)
• InChIKey: BBFIQKMDTYLHQV-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 76.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.00
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 10-(5-chloro-2-methoxyphenyl)-N-(2,3-dimethylcyclohexyl)-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-(5-chloro-2-methoxyphenyl)-N-(2,3-dimethylcyclohexyl)-11-methyl-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide (CID 71172192) is 10-(5-chloro-2-methoxyphenyl)-N-(2,3-dimethylcyclohexyl)-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-(5-chloro-2-methoxyphenyl)-N-(2,3-dimethylcyclohexyl)-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-(5-chloro-2-methoxyphenyl)-N-(2,3-dimethylcyclohexyl)-11-methyl-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)NC1CCCC(C)C1C.

What is the InChIKey of 10-(5-chloro-2-methoxyphenyl)-N-(2,3-dimethylcyclohexyl)-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 BBFIQKMDTYLHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN3O4/c1-15-6-5-7-18(16(15)2)28-25(32)26(3)14-29-19-10-11-34-23(19)13-21(29)24(31)30(26)20-12-17(27)8-9-22(20)33-4/h8-13,15-16,18H,5-7,14H2,1-4H3,(H,28,32).

What are the key properties of 10-(5-chloro-2-methoxyphenyl)-N-(2,3-dimethylcyclohexyl)-11-methyl-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)-N-(2,3-dimethylcyclohexyl)-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 484.00 g/mol, XLogP of 5.26, 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)-N-(2,3-dimethylcyclohexyl)-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 71172192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).