(5R,7S)-3-(3-morpholin-4-ylpropyl)-4-oxo-N-(4-propan-2-ylphenyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide

About (5R,7S)-3-(3-morpholin-4-ylpropyl)-4-oxo-N-(4-propan-2-ylphenyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide

(5R,7S)-3-(3-morpholin-4-ylpropyl)-4-oxo-N-(4-propan-2-ylphenyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide (PubChem CID 87049965) has the molecular formula C25H33N3O4 and a molecular weight of 439.56 g/mol. Its IUPAC name is (5R,7S)-3-(3-morpholin-4-ylpropyl)-4-oxo-N-(4-propan-2-ylphenyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide.

Molecular Properties

Compound Name	(5R,7S)-3-(3-morpholin-4-ylpropyl)-4-oxo-N-(4-propan-2-ylphenyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
PubChem CID	87049965
Molecular Formula	C25H33N3O4
Molecular Weight	439.56 g/mol
Exact Mass	439.25
IUPAC Name	(5R,7S)-3-(3-morpholin-4-ylpropyl)-4-oxo-N-(4-propan-2-ylphenyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
SMILES	CC(C)c1ccc(NC(=O)C2[C@@H]3C=CC4(CN(CCCN5CCOCC5)C(=O)[C@H]24)O3)cc1
InChI	InChI=1S/C25H33N3O4/c1-17(2)18-4-6-19(7-5-18)26-23(29)21-20-8-9-25(32-20)16-28(24(30)22(21)25)11-3-10-27-12-14-31-15-13-27/h4-9,17,20-22H,3,10-16H2,1-2H3,(H,26,29)/t20-,21?,22-,25?/m0/s1
InChIKey	JCUAKYNOPWFLHK-ORHQAHCRSA-N
XLogP	2.25
TPSA	71.11 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	7
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.56
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	1
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 (5R,7S)-3-(3-morpholin-4-ylpropyl)-4-oxo-N-(4-propan-2-ylphenyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide?

The IUPAC name of (5R,7S)-3-(3-morpholin-4-ylpropyl)-4-oxo-N-(4-propan-2-ylphenyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide (CID 87049965) is (5R,7S)-3-(3-morpholin-4-ylpropyl)-4-oxo-N-(4-propan-2-ylphenyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide.

What is the SMILES notation for (5R,7S)-3-(3-morpholin-4-ylpropyl)-4-oxo-N-(4-propan-2-ylphenyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide?

The canonical SMILES for (5R,7S)-3-(3-morpholin-4-ylpropyl)-4-oxo-N-(4-propan-2-ylphenyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide is CC(C)c1ccc(NC(=O)C2[C@@H]3C=CC4(CN(CCCN5CCOCC5)C(=O)[C@H]24)O3)cc1.

What is the InChIKey of (5R,7S)-3-(3-morpholin-4-ylpropyl)-4-oxo-N-(4-propan-2-ylphenyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide?

The InChIKey is JCUAKYNOPWFLHK-ORHQAHCRSA-N. The full InChI is InChI=1S/C25H33N3O4/c1-17(2)18-4-6-19(7-5-18)26-23(29)21-20-8-9-25(32-20)16-28(24(30)22(21)25)11-3-10-27-12-14-31-15-13-27/h4-9,17,20-22H,3,10-16H2,1-2H3,(H,26,29)/t20-,21?,22-,25?/m0/s1.

What are the key properties of (5R,7S)-3-(3-morpholin-4-ylpropyl)-4-oxo-N-(4-propan-2-ylphenyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide?

(5R,7S)-3-(3-morpholin-4-ylpropyl)-4-oxo-N-(4-propan-2-ylphenyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide has a molecular weight of 439.56 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5R,7S)-3-(3-morpholin-4-ylpropyl)-4-oxo-N-(4-propan-2-ylphenyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide is sourced from PubChem (CID 87049965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).