6-N-(3-methoxyphenyl)-2-N-(2-methylcyclohexyl)-4-oxo-3-propan-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide

C27H35N3O5 — CID 3243229

About 6-N-(3-methoxyphenyl)-2-N-(2-methylcyclohexyl)-4-oxo-3-propan-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide

6-N-(3-methoxyphenyl)-2-N-(2-methylcyclohexyl)-4-oxo-3-propan-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide (PubChem CID 3243229) has the molecular formula C27H35N3O5 and a molecular weight of 481.59 g/mol. Its IUPAC name is 6-N-(3-methoxyphenyl)-2-N-(2-methylcyclohexyl)-4-oxo-3-propan-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide.

Molecular Properties

• Compound Name: 6-N-(3-methoxyphenyl)-2-N-(2-methylcyclohexyl)-4-oxo-3-propan-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide
• PubChem CID: 3243229
• Molecular Formula: C27H35N3O5
• Molecular Weight: 481.59 g/mol
• Exact Mass: 481.26
• IUPAC Name: 6-N-(3-methoxyphenyl)-2-N-(2-methylcyclohexyl)-4-oxo-3-propan-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide
• SMILES: COc1cccc(NC(=O)C2C3C=CC4(O3)C2C(=O)N(C(C)C)C4C(=O)NC2CCCCC2C)c1
• InChI: InChI=1S/C27H35N3O5/c1-15(2)30-23(25(32)29-19-11-6-5-8-16(19)3)27-13-12-20(35-27)21(22(27)26(30)33)24(31)28-17-9-7-10-18(14-17)34-4/h7,9-10,12-16,19-23H,5-6,8,11H2,1-4H3,(H,28,31)(H,29,32)
• InChIKey: RZFCFNKCEHOXSQ-UHFFFAOYSA-N
• XLogP: 2.89
• TPSA: 96.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.59
LogP ≤ 5	2.89
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 6-N-(3-methoxyphenyl)-2-N-(2-methylcyclohexyl)-4-oxo-3-propan-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide?

The IUPAC name of 6-N-(3-methoxyphenyl)-2-N-(2-methylcyclohexyl)-4-oxo-3-propan-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide (CID 3243229) is 6-N-(3-methoxyphenyl)-2-N-(2-methylcyclohexyl)-4-oxo-3-propan-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide.

What is the SMILES notation for 6-N-(3-methoxyphenyl)-2-N-(2-methylcyclohexyl)-4-oxo-3-propan-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide?

The canonical SMILES for 6-N-(3-methoxyphenyl)-2-N-(2-methylcyclohexyl)-4-oxo-3-propan-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide is COc1cccc(NC(=O)C2C3C=CC4(O3)C2C(=O)N(C(C)C)C4C(=O)NC2CCCCC2C)c1.

What is the InChIKey of 6-N-(3-methoxyphenyl)-2-N-(2-methylcyclohexyl)-4-oxo-3-propan-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide?

The InChIKey is RZFCFNKCEHOXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O5/c1-15(2)30-23(25(32)29-19-11-6-5-8-16(19)3)27-13-12-20(35-27)21(22(27)26(30)33)24(31)28-17-9-7-10-18(14-17)34-4/h7,9-10,12-16,19-23H,5-6,8,11H2,1-4H3,(H,28,31)(H,29,32).

What are the key properties of 6-N-(3-methoxyphenyl)-2-N-(2-methylcyclohexyl)-4-oxo-3-propan-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide?

6-N-(3-methoxyphenyl)-2-N-(2-methylcyclohexyl)-4-oxo-3-propan-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide has a molecular weight of 481.59 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N-(3-methoxyphenyl)-2-N-(2-methylcyclohexyl)-4-oxo-3-propan-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide is sourced from PubChem (CID 3243229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).