2-(1-adamantyl)-N-(4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)acetamide

C22H36N2O3 — CID 2945936

IUPAC2-(1-adamantyl)-N-(4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)acetamide
SMILESCC(C)CC(NC(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)N1CCOCC1
InChIInChI=1S/C22H36N2O3/c1-15(2)7-19(21(26)24-3-5-27-6-4-24)23-20(25)14-22-11-16-8-17(12-22)10-18(9-16)13-22/h15-19H,3-14H2,1-2H3,(H,23,25)
InChIKeyRGELUNHVLZEOQR-UHFFFAOYSA-N
MW376.54 g/mol
LogP2.98
Rot. Bonds6

About 2-(1-adamantyl)-N-(4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)acetamide

2-(1-adamantyl)-N-(4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)acetamide (PubChem CID 2945936) has the molecular formula C22H36N2O3 and a molecular weight of 376.54 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-(4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-(4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)acetamide
PubChem CID2945936
Molecular FormulaC22H36N2O3
Molecular Weight376.54 g/mol
Exact Mass376.27
IUPAC Name2-(1-adamantyl)-N-(4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)acetamide
SMILESCC(C)CC(NC(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)N1CCOCC1
InChIInChI=1S/C22H36N2O3/c1-15(2)7-19(21(26)24-3-5-27-6-4-24)23-20(25)14-22-11-16-8-17(12-22)10-18(9-16)13-22/h15-19H,3-14H2,1-2H3,(H,23,25)
InChIKeyRGELUNHVLZEOQR-UHFFFAOYSA-N
XLogP2.98
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.54
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-(4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)acetamide?
The IUPAC name of 2-(1-adamantyl)-N-(4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)acetamide (CID 2945936) is 2-(1-adamantyl)-N-(4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-(4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-(4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)acetamide is CC(C)CC(NC(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)N1CCOCC1.
What is the InChIKey of 2-(1-adamantyl)-N-(4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)acetamide?
The InChIKey is RGELUNHVLZEOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O3/c1-15(2)7-19(21(26)24-3-5-27-6-4-24)23-20(25)14-22-11-16-8-17(12-22)10-18(9-16)13-22/h15-19H,3-14H2,1-2H3,(H,23,25).
What are the key properties of 2-(1-adamantyl)-N-(4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)acetamide?
2-(1-adamantyl)-N-(4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)acetamide has a molecular weight of 376.54 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-(4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)acetamide is sourced from PubChem (CID 2945936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).