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

C27H43N3O3S — CID 143130174

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

N-(2,3-dimethylcyclohexyl)-11-methyl-9-oxo-10-(3-propylsulfanylpropyl)-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide;ethane (PubChem CID 143130174) has the molecular formula C27H43N3O3S and a molecular weight of 489.73 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-11-methyl-9-oxo-10-(3-propylsulfanylpropyl)-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide;ethane.

Molecular Properties

• Compound Name: N-(2,3-dimethylcyclohexyl)-11-methyl-9-oxo-10-(3-propylsulfanylpropyl)-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide;ethane
• PubChem CID: 143130174
• Molecular Formula: C27H43N3O3S
• Molecular Weight: 489.73 g/mol
• Exact Mass: 489.30
• IUPAC Name: N-(2,3-dimethylcyclohexyl)-11-methyl-9-oxo-10-(3-propylsulfanylpropyl)-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide;ethane
• SMILES: CC.CCCSCCCN1C(=O)c2cc3occc3n2CC1(C)C(=O)NC1CCCC(C)C1C
• InChI: InChI=1S/C25H37N3O3S.C2H6/c1-5-13-32-14-7-11-28-23(29)21-15-22-20(10-12-31-22)27(21)16-25(28,4)24(30)26-19-9-6-8-17(2)18(19)3;1-2/h10,12,15,17-19H,5-9,11,13-14,16H2,1-4H3,(H,26,30);1-2H3
• InChIKey: KIURWXIDOZNBQP-UHFFFAOYSA-N
• XLogP: 5.95
• TPSA: 67.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	489.73
LogP ≤ 5	5.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of N-(2,3-dimethylcyclohexyl)-11-methyl-9-oxo-10-(3-propylsulfanylpropyl)-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide;ethane (CID 143130174) is N-(2,3-dimethylcyclohexyl)-11-methyl-9-oxo-10-(3-propylsulfanylpropyl)-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide;ethane.

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

The canonical SMILES for N-(2,3-dimethylcyclohexyl)-11-methyl-9-oxo-10-(3-propylsulfanylpropyl)-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide;ethane is CC.CCCSCCCN1C(=O)c2cc3occc3n2CC1(C)C(=O)NC1CCCC(C)C1C.

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

The InChIKey is KIURWXIDOZNBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O3S.C2H6/c1-5-13-32-14-7-11-28-23(29)21-15-22-20(10-12-31-22)27(21)16-25(28,4)24(30)26-19-9-6-8-17(2)18(19)3;1-2/h10,12,15,17-19H,5-9,11,13-14,16H2,1-4H3,(H,26,30);1-2H3.

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

N-(2,3-dimethylcyclohexyl)-11-methyl-9-oxo-10-(3-propylsulfanylpropyl)-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide;ethane has a molecular weight of 489.73 g/mol, XLogP of 5.95, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dimethylcyclohexyl)-11-methyl-9-oxo-10-(3-propylsulfanylpropyl)-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide;ethane is sourced from PubChem (CID 143130174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).