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

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

(5R,6R,7R)-7-ethyl-3-(4-hydroxybutyl)-4-oxo-2-N-pentan-2-yl-6-N-propyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide (PubChem CID 23868936) has the molecular formula C24H41N3O5 and a molecular weight of 451.61 g/mol. Its IUPAC name is (5R,6R,7R)-7-ethyl-3-(4-hydroxybutyl)-4-oxo-2-N-pentan-2-yl-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-(4-hydroxybutyl)-4-oxo-2-N-pentan-2-yl-6-N-propyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide
PubChem CID	23868936
Molecular Formula	C24H41N3O5
Molecular Weight	451.61 g/mol
Exact Mass	451.30
IUPAC Name	(5R,6R,7R)-7-ethyl-3-(4-hydroxybutyl)-4-oxo-2-N-pentan-2-yl-6-N-propyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide
SMILES	CCCNC(=O)[C@@H]1[C@H]2C(=O)N(CCCCO)C(C(=O)NC(C)CCC)C23CC[C@@]1(CC)O3
InChI	InChI=1S/C24H41N3O5/c1-5-10-16(4)26-21(30)19-24-12-11-23(7-3,32-24)17(20(29)25-13-6-2)18(24)22(31)27(19)14-8-9-15-28/h16-19,28H,5-15H2,1-4H3,(H,25,29)(H,26,30)/t16?,17-,18-,19?,23+,24?/m0/s1
InChIKey	GDFMDBVVJVABOS-DQUPEDBMSA-N
XLogP	1.74
TPSA	107.97 Å²
H-Bond Donors	3
H-Bond Acceptors	5
Rotatable Bonds	12
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.61
LogP ≤ 5	1.74
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-(4-hydroxybutyl)-4-oxo-2-N-pentan-2-yl-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-(4-hydroxybutyl)-4-oxo-2-N-pentan-2-yl-6-N-propyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide (CID 23868936) is (5R,6R,7R)-7-ethyl-3-(4-hydroxybutyl)-4-oxo-2-N-pentan-2-yl-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-(4-hydroxybutyl)-4-oxo-2-N-pentan-2-yl-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-(4-hydroxybutyl)-4-oxo-2-N-pentan-2-yl-6-N-propyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide is CCCNC(=O)[C@@H]1[C@H]2C(=O)N(CCCCO)C(C(=O)NC(C)CCC)C23CC[C@@]1(CC)O3.

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

The InChIKey is GDFMDBVVJVABOS-DQUPEDBMSA-N. The full InChI is InChI=1S/C24H41N3O5/c1-5-10-16(4)26-21(30)19-24-12-11-23(7-3,32-24)17(20(29)25-13-6-2)18(24)22(31)27(19)14-8-9-15-28/h16-19,28H,5-15H2,1-4H3,(H,25,29)(H,26,30)/t16?,17-,18-,19?,23+,24?/m0/s1.

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

(5R,6R,7R)-7-ethyl-3-(4-hydroxybutyl)-4-oxo-2-N-pentan-2-yl-6-N-propyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide has a molecular weight of 451.61 g/mol, XLogP of 1.74, 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-(4-hydroxybutyl)-4-oxo-2-N-pentan-2-yl-6-N-propyl-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide is sourced from PubChem (CID 23868936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).