6-N-(4-ethoxyphenyl)-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

About 6-N-(4-ethoxyphenyl)-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-(4-ethoxyphenyl)-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 6621100) has the molecular formula C28H37N3O5 and a molecular weight of 495.62 g/mol. Its IUPAC name is 6-N-(4-ethoxyphenyl)-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-(4-ethoxyphenyl)-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	6621100
Molecular Formula	C28H37N3O5
Molecular Weight	495.62 g/mol
Exact Mass	495.27
IUPAC Name	6-N-(4-ethoxyphenyl)-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	CCOc1ccc(NC(=O)C2C3C=CC4(O3)C2C(=O)N(C(C)C)C4C(=O)NC2CCCCC2C)cc1
InChI	InChI=1S/C28H37N3O5/c1-5-35-19-12-10-18(11-13-19)29-25(32)22-21-14-15-28(36-21)23(22)27(34)31(16(2)3)24(28)26(33)30-20-9-7-6-8-17(20)4/h10-17,20-24H,5-9H2,1-4H3,(H,29,32)(H,30,33)
InChIKey	YZOLDXXQDISBNP-UHFFFAOYSA-N
XLogP	3.28
TPSA	96.97 Å²
H-Bond Donors	2
H-Bond Acceptors	5
Rotatable Bonds	7
Heavy Atoms	36
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.62
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 6-N-(4-ethoxyphenyl)-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-(4-ethoxyphenyl)-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 6621100) is 6-N-(4-ethoxyphenyl)-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-(4-ethoxyphenyl)-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-(4-ethoxyphenyl)-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 CCOc1ccc(NC(=O)C2C3C=CC4(O3)C2C(=O)N(C(C)C)C4C(=O)NC2CCCCC2C)cc1.

What is the InChIKey of 6-N-(4-ethoxyphenyl)-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 YZOLDXXQDISBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O5/c1-5-35-19-12-10-18(11-13-19)29-25(32)22-21-14-15-28(36-21)23(22)27(34)31(16(2)3)24(28)26(33)30-20-9-7-6-8-17(20)4/h10-17,20-24H,5-9H2,1-4H3,(H,29,32)(H,30,33).

What are the key properties of 6-N-(4-ethoxyphenyl)-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-(4-ethoxyphenyl)-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 495.62 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N-(4-ethoxyphenyl)-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 6621100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).