2-N-cyclohexyl-4-oxo-6-N-(4-propan-2-ylphenyl)-3-prop-2-enyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide

About 2-N-cyclohexyl-4-oxo-6-N-(4-propan-2-ylphenyl)-3-prop-2-enyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide

2-N-cyclohexyl-4-oxo-6-N-(4-propan-2-ylphenyl)-3-prop-2-enyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide (PubChem CID 4086573) has the molecular formula C28H35N3O4 and a molecular weight of 477.61 g/mol. Its IUPAC name is 2-N-cyclohexyl-4-oxo-6-N-(4-propan-2-ylphenyl)-3-prop-2-enyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide.

Molecular Properties

Compound Name	2-N-cyclohexyl-4-oxo-6-N-(4-propan-2-ylphenyl)-3-prop-2-enyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide
PubChem CID	4086573
Molecular Formula	C28H35N3O4
Molecular Weight	477.61 g/mol
Exact Mass	477.26
IUPAC Name	2-N-cyclohexyl-4-oxo-6-N-(4-propan-2-ylphenyl)-3-prop-2-enyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide
SMILES	C=CCN1C(=O)C2C(C(=O)Nc3ccc(C(C)C)cc3)C3C=CC2(O3)C1C(=O)NC1CCCCC1
InChI	InChI=1S/C28H35N3O4/c1-4-16-31-24(26(33)30-19-8-6-5-7-9-19)28-15-14-21(35-28)22(23(28)27(31)34)25(32)29-20-12-10-18(11-13-20)17(2)3/h4,10-15,17,19,21-24H,1,5-9,16H2,2-3H3,(H,29,32)(H,30,33)
InChIKey	UTVAZJIMQXFEKZ-UHFFFAOYSA-N
XLogP	3.53
TPSA	87.74 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	7
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.61
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

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-4-oxo-6-N-(4-propan-2-ylphenyl)-3-prop-2-enyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide?

The IUPAC name of 2-N-cyclohexyl-4-oxo-6-N-(4-propan-2-ylphenyl)-3-prop-2-enyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide (CID 4086573) is 2-N-cyclohexyl-4-oxo-6-N-(4-propan-2-ylphenyl)-3-prop-2-enyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide.

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

The canonical SMILES for 2-N-cyclohexyl-4-oxo-6-N-(4-propan-2-ylphenyl)-3-prop-2-enyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide is C=CCN1C(=O)C2C(C(=O)Nc3ccc(C(C)C)cc3)C3C=CC2(O3)C1C(=O)NC1CCCCC1.

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

The InChIKey is UTVAZJIMQXFEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O4/c1-4-16-31-24(26(33)30-19-8-6-5-7-9-19)28-15-14-21(35-28)22(23(28)27(31)34)25(32)29-20-12-10-18(11-13-20)17(2)3/h4,10-15,17,19,21-24H,1,5-9,16H2,2-3H3,(H,29,32)(H,30,33).

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

2-N-cyclohexyl-4-oxo-6-N-(4-propan-2-ylphenyl)-3-prop-2-enyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide has a molecular weight of 477.61 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-cyclohexyl-4-oxo-6-N-(4-propan-2-ylphenyl)-3-prop-2-enyl-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide is sourced from PubChem (CID 4086573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).