(5R,6R,7R)-7-ethyl-3-(3-hydroxypropyl)-4-oxo-2-N-pentyl-6-N-propyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide

About (5R,6R,7R)-7-ethyl-3-(3-hydroxypropyl)-4-oxo-2-N-pentyl-6-N-propyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide

(5R,6R,7R)-7-ethyl-3-(3-hydroxypropyl)-4-oxo-2-N-pentyl-6-N-propyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide (PubChem CID 23952698) has the molecular formula C23H39N3O5 and a molecular weight of 437.58 g/mol. Its IUPAC name is (5R,6R,7R)-7-ethyl-3-(3-hydroxypropyl)-4-oxo-2-N-pentyl-6-N-propyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide.

Molecular Properties

Compound Name	(5R,6R,7R)-7-ethyl-3-(3-hydroxypropyl)-4-oxo-2-N-pentyl-6-N-propyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide
PubChem CID	23952698
Molecular Formula	C23H39N3O5
Molecular Weight	437.58 g/mol
Exact Mass	437.29
IUPAC Name	(5R,6R,7R)-7-ethyl-3-(3-hydroxypropyl)-4-oxo-2-N-pentyl-6-N-propyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide
SMILES	CCCCCNC(=O)C1N(CCCO)C(=O)[C@@H]2[C@@H](C(=O)NCCC)[C@@]3(CC)CCC12O3
InChI	InChI=1S/C23H39N3O5/c1-4-7-8-13-25-20(29)18-23-11-10-22(6-3,31-23)16(19(28)24-12-5-2)17(23)21(30)26(18)14-9-15-27/h16-18,27H,4-15H2,1-3H3,(H,24,28)(H,25,29)/t16-,17-,18?,22+,23?/m0/s1
InChIKey	GSIPQUNUFZZQOS-DGJWLCLJSA-N
XLogP	1.36
TPSA	107.97 Å²
H-Bond Donors	3
H-Bond Acceptors	5
Rotatable Bonds	12
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.58
LogP ≤ 5	1.36
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (5R,6R,7R)-7-ethyl-3-(3-hydroxypropyl)-4-oxo-2-N-pentyl-6-N-propyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide?

The IUPAC name of (5R,6R,7R)-7-ethyl-3-(3-hydroxypropyl)-4-oxo-2-N-pentyl-6-N-propyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide (CID 23952698) is (5R,6R,7R)-7-ethyl-3-(3-hydroxypropyl)-4-oxo-2-N-pentyl-6-N-propyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide.

What is the SMILES notation for (5R,6R,7R)-7-ethyl-3-(3-hydroxypropyl)-4-oxo-2-N-pentyl-6-N-propyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide?

The canonical SMILES for (5R,6R,7R)-7-ethyl-3-(3-hydroxypropyl)-4-oxo-2-N-pentyl-6-N-propyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide is CCCCCNC(=O)C1N(CCCO)C(=O)[C@@H]2[C@@H](C(=O)NCCC)[C@@]3(CC)CCC12O3.

What is the InChIKey of (5R,6R,7R)-7-ethyl-3-(3-hydroxypropyl)-4-oxo-2-N-pentyl-6-N-propyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide?

The InChIKey is GSIPQUNUFZZQOS-DGJWLCLJSA-N. The full InChI is InChI=1S/C23H39N3O5/c1-4-7-8-13-25-20(29)18-23-11-10-22(6-3,31-23)16(19(28)24-12-5-2)17(23)21(30)26(18)14-9-15-27/h16-18,27H,4-15H2,1-3H3,(H,24,28)(H,25,29)/t16-,17-,18?,22+,23?/m0/s1.

What are the key properties of (5R,6R,7R)-7-ethyl-3-(3-hydroxypropyl)-4-oxo-2-N-pentyl-6-N-propyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide?

(5R,6R,7R)-7-ethyl-3-(3-hydroxypropyl)-4-oxo-2-N-pentyl-6-N-propyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide has a molecular weight of 437.58 g/mol, XLogP of 1.36, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5R,6R,7R)-7-ethyl-3-(3-hydroxypropyl)-4-oxo-2-N-pentyl-6-N-propyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide is sourced from PubChem (CID 23952698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).