2-N-cyclohexyl-6-N-(3-methoxyphenyl)-4-oxo-3-(oxolan-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide

About 2-N-cyclohexyl-6-N-(3-methoxyphenyl)-4-oxo-3-(oxolan-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide

2-N-cyclohexyl-6-N-(3-methoxyphenyl)-4-oxo-3-(oxolan-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide (PubChem CID 22421419) has the molecular formula C28H35N3O6 and a molecular weight of 509.60 g/mol. Its IUPAC name is 2-N-cyclohexyl-6-N-(3-methoxyphenyl)-4-oxo-3-(oxolan-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide.

Molecular Properties

Compound Name	2-N-cyclohexyl-6-N-(3-methoxyphenyl)-4-oxo-3-(oxolan-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide
PubChem CID	22421419
Molecular Formula	C28H35N3O6
Molecular Weight	509.60 g/mol
Exact Mass	509.25
IUPAC Name	2-N-cyclohexyl-6-N-(3-methoxyphenyl)-4-oxo-3-(oxolan-2-ylmethyl)-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(CC2CCCO2)C4C(=O)NC2CCCCC2)c1
InChI	InChI=1S/C28H35N3O6/c1-35-19-10-5-9-18(15-19)30-25(32)22-21-12-13-28(37-21)23(22)27(34)31(16-20-11-6-14-36-20)24(28)26(33)29-17-7-3-2-4-8-17/h5,9-10,12-13,15,17,20-24H,2-4,6-8,11,14,16H2,1H3,(H,29,33)(H,30,32)
InChIKey	UZVXBLAOLYBCDF-UHFFFAOYSA-N
XLogP	2.41
TPSA	106.20 Å²
H-Bond Donors	2
H-Bond Acceptors	6
Rotatable Bonds	7
Heavy Atoms	37
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.60
LogP ≤ 5	2.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohexyl-6-N-(3-methoxyphenyl)-4-oxo-3-(oxolan-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide?

The IUPAC name of 2-N-cyclohexyl-6-N-(3-methoxyphenyl)-4-oxo-3-(oxolan-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide (CID 22421419) is 2-N-cyclohexyl-6-N-(3-methoxyphenyl)-4-oxo-3-(oxolan-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide.

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

The canonical SMILES for 2-N-cyclohexyl-6-N-(3-methoxyphenyl)-4-oxo-3-(oxolan-2-ylmethyl)-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(CC2CCCO2)C4C(=O)NC2CCCCC2)c1.

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

The InChIKey is UZVXBLAOLYBCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O6/c1-35-19-10-5-9-18(15-19)30-25(32)22-21-12-13-28(37-21)23(22)27(34)31(16-20-11-6-14-36-20)24(28)26(33)29-17-7-3-2-4-8-17/h5,9-10,12-13,15,17,20-24H,2-4,6-8,11,14,16H2,1H3,(H,29,33)(H,30,32).

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

2-N-cyclohexyl-6-N-(3-methoxyphenyl)-4-oxo-3-(oxolan-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide has a molecular weight of 509.60 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-cyclohexyl-6-N-(3-methoxyphenyl)-4-oxo-3-(oxolan-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide is sourced from PubChem (CID 22421419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).