(5R,6R,7R)-3-[(2R)-1-hydroxy-4-methylpentan-2-yl]-6-N-methyl-2-N-(2-morpholin-4-ylethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide

C23H38N4O6 — CID 25091696

About (5R,6R,7R)-3-[(2R)-1-hydroxy-4-methylpentan-2-yl]-6-N-methyl-2-N-(2-morpholin-4-ylethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide

(5R,6R,7R)-3-[(2R)-1-hydroxy-4-methylpentan-2-yl]-6-N-methyl-2-N-(2-morpholin-4-ylethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide (PubChem CID 25091696) has the molecular formula C23H38N4O6 and a molecular weight of 466.58 g/mol. Its IUPAC name is (5R,6R,7R)-3-[(2R)-1-hydroxy-4-methylpentan-2-yl]-6-N-methyl-2-N-(2-morpholin-4-ylethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide.

Molecular Properties

• Compound Name: (5R,6R,7R)-3-[(2R)-1-hydroxy-4-methylpentan-2-yl]-6-N-methyl-2-N-(2-morpholin-4-ylethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide
• PubChem CID: 25091696
• Molecular Formula: C23H38N4O6
• Molecular Weight: 466.58 g/mol
• Exact Mass: 466.28
• IUPAC Name: (5R,6R,7R)-3-[(2R)-1-hydroxy-4-methylpentan-2-yl]-6-N-methyl-2-N-(2-morpholin-4-ylethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide
• SMILES: CNC(=O)[C@@H]1[C@H]2C(=O)N([C@@H](CO)CC(C)C)C(C(=O)NCCN3CCOCC3)C23CC[C@H]1O3
• InChI: InChI=1S/C23H38N4O6/c1-14(2)12-15(13-28)27-19(21(30)25-6-7-26-8-10-32-11-9-26)23-5-4-16(33-23)17(20(29)24-3)18(23)22(27)31/h14-19,28H,4-13H2,1-3H3,(H,24,29)(H,25,30)/t15-,16-,17+,18+,19?,23?/m1/s1
• InChIKey: BRFHMANKNKWQSY-XAWCRZOTSA-N
• XLogP: -1.04
• TPSA: 120.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.58
LogP ≤ 5	-1.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (5R,6R,7R)-3-[(2R)-1-hydroxy-4-methylpentan-2-yl]-6-N-methyl-2-N-(2-morpholin-4-ylethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide?

The IUPAC name of (5R,6R,7R)-3-[(2R)-1-hydroxy-4-methylpentan-2-yl]-6-N-methyl-2-N-(2-morpholin-4-ylethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide (CID 25091696) is (5R,6R,7R)-3-[(2R)-1-hydroxy-4-methylpentan-2-yl]-6-N-methyl-2-N-(2-morpholin-4-ylethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide.

What is the SMILES notation for (5R,6R,7R)-3-[(2R)-1-hydroxy-4-methylpentan-2-yl]-6-N-methyl-2-N-(2-morpholin-4-ylethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide?

The canonical SMILES for (5R,6R,7R)-3-[(2R)-1-hydroxy-4-methylpentan-2-yl]-6-N-methyl-2-N-(2-morpholin-4-ylethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide is CNC(=O)[C@@H]1[C@H]2C(=O)N([C@@H](CO)CC(C)C)C(C(=O)NCCN3CCOCC3)C23CC[C@H]1O3.

What is the InChIKey of (5R,6R,7R)-3-[(2R)-1-hydroxy-4-methylpentan-2-yl]-6-N-methyl-2-N-(2-morpholin-4-ylethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide?

The InChIKey is BRFHMANKNKWQSY-XAWCRZOTSA-N. The full InChI is InChI=1S/C23H38N4O6/c1-14(2)12-15(13-28)27-19(21(30)25-6-7-26-8-10-32-11-9-26)23-5-4-16(33-23)17(20(29)24-3)18(23)22(27)31/h14-19,28H,4-13H2,1-3H3,(H,24,29)(H,25,30)/t15-,16-,17+,18+,19?,23?/m1/s1.

What are the key properties of (5R,6R,7R)-3-[(2R)-1-hydroxy-4-methylpentan-2-yl]-6-N-methyl-2-N-(2-morpholin-4-ylethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide?

(5R,6R,7R)-3-[(2R)-1-hydroxy-4-methylpentan-2-yl]-6-N-methyl-2-N-(2-morpholin-4-ylethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide has a molecular weight of 466.58 g/mol, XLogP of -1.04, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5R,6R,7R)-3-[(2R)-1-hydroxy-4-methylpentan-2-yl]-6-N-methyl-2-N-(2-morpholin-4-ylethyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]decane-2,6-dicarboxamide is sourced from PubChem (CID 25091696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).