2-N-(2,3-dimethylcyclohexyl)-6-N-(3-methylphenyl)-3-[3-(3-methylpiperidin-1-yl)propyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide

C34H48N4O4 — CID 46503902

About 2-N-(2,3-dimethylcyclohexyl)-6-N-(3-methylphenyl)-3-[3-(3-methylpiperidin-1-yl)propyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide

2-N-(2,3-dimethylcyclohexyl)-6-N-(3-methylphenyl)-3-[3-(3-methylpiperidin-1-yl)propyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide (PubChem CID 46503902) has the molecular formula C34H48N4O4 and a molecular weight of 576.78 g/mol. Its IUPAC name is 2-N-(2,3-dimethylcyclohexyl)-6-N-(3-methylphenyl)-3-[3-(3-methylpiperidin-1-yl)propyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide.

Molecular Properties

• Compound Name: 2-N-(2,3-dimethylcyclohexyl)-6-N-(3-methylphenyl)-3-[3-(3-methylpiperidin-1-yl)propyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide
• PubChem CID: 46503902
• Molecular Formula: C34H48N4O4
• Molecular Weight: 576.78 g/mol
• Exact Mass: 576.37
• IUPAC Name: 2-N-(2,3-dimethylcyclohexyl)-6-N-(3-methylphenyl)-3-[3-(3-methylpiperidin-1-yl)propyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide
• SMILES: Cc1cccc(NC(=O)C2C3C=CC4(O3)C2C(=O)N(CCCN2CCCC(C)C2)C4C(=O)NC2CCCC(C)C2C)c1
• InChI: InChI=1S/C34H48N4O4/c1-21-9-5-12-25(19-21)35-31(39)28-27-14-15-34(42-27)29(28)33(41)38(18-8-17-37-16-7-10-22(2)20-37)30(34)32(40)36-26-13-6-11-23(3)24(26)4/h5,9,12,14-15,19,22-24,26-30H,6-8,10-11,13,16-18,20H2,1-4H3,(H,35,39)(H,36,40)
• InChIKey: HPIAZCOLIMFMHB-UHFFFAOYSA-N
• XLogP: 4.15
• TPSA: 90.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	576.78
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,3-dimethylcyclohexyl)-6-N-(3-methylphenyl)-3-[3-(3-methylpiperidin-1-yl)propyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide?

The IUPAC name of 2-N-(2,3-dimethylcyclohexyl)-6-N-(3-methylphenyl)-3-[3-(3-methylpiperidin-1-yl)propyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide (CID 46503902) is 2-N-(2,3-dimethylcyclohexyl)-6-N-(3-methylphenyl)-3-[3-(3-methylpiperidin-1-yl)propyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide.

What is the SMILES notation for 2-N-(2,3-dimethylcyclohexyl)-6-N-(3-methylphenyl)-3-[3-(3-methylpiperidin-1-yl)propyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide?

The canonical SMILES for 2-N-(2,3-dimethylcyclohexyl)-6-N-(3-methylphenyl)-3-[3-(3-methylpiperidin-1-yl)propyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide is Cc1cccc(NC(=O)C2C3C=CC4(O3)C2C(=O)N(CCCN2CCCC(C)C2)C4C(=O)NC2CCCC(C)C2C)c1.

What is the InChIKey of 2-N-(2,3-dimethylcyclohexyl)-6-N-(3-methylphenyl)-3-[3-(3-methylpiperidin-1-yl)propyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide?

The InChIKey is HPIAZCOLIMFMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H48N4O4/c1-21-9-5-12-25(19-21)35-31(39)28-27-14-15-34(42-27)29(28)33(41)38(18-8-17-37-16-7-10-22(2)20-37)30(34)32(40)36-26-13-6-11-23(3)24(26)4/h5,9,12,14-15,19,22-24,26-30H,6-8,10-11,13,16-18,20H2,1-4H3,(H,35,39)(H,36,40).

What are the key properties of 2-N-(2,3-dimethylcyclohexyl)-6-N-(3-methylphenyl)-3-[3-(3-methylpiperidin-1-yl)propyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide?

2-N-(2,3-dimethylcyclohexyl)-6-N-(3-methylphenyl)-3-[3-(3-methylpiperidin-1-yl)propyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide has a molecular weight of 576.78 g/mol, XLogP of 4.15, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-(2,3-dimethylcyclohexyl)-6-N-(3-methylphenyl)-3-[3-(3-methylpiperidin-1-yl)propyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide is sourced from PubChem (CID 46503902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).