2-morpholin-4-yl-N-(1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)acetamide

C16H28N2O3 — CID 24840176

IUPAC2-morpholin-4-yl-N-(1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)acetamide
SMILESCC1(C)OC2(C)CCC1CC2NC(=O)CN1CCOCC1
InChIInChI=1S/C16H28N2O3/c1-15(2)12-4-5-16(3,21-15)13(10-12)17-14(19)11-18-6-8-20-9-7-18/h12-13H,4-11H2,1-3H3,(H,17,19)
InChIKeyAZRBPFMOOFRFRA-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.17
Rot. Bonds3

About 2-morpholin-4-yl-N-(1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)acetamide

2-morpholin-4-yl-N-(1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)acetamide (PubChem CID 24840176) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-(1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)acetamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-(1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)acetamide
PubChem CID24840176
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name2-morpholin-4-yl-N-(1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)acetamide
SMILESCC1(C)OC2(C)CCC1CC2NC(=O)CN1CCOCC1
InChIInChI=1S/C16H28N2O3/c1-15(2)12-4-5-16(3,21-15)13(10-12)17-14(19)11-18-6-8-20-9-7-18/h12-13H,4-11H2,1-3H3,(H,17,19)
InChIKeyAZRBPFMOOFRFRA-UHFFFAOYSA-N
XLogP1.17
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-(1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)acetamide?
The IUPAC name of 2-morpholin-4-yl-N-(1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)acetamide (CID 24840176) is 2-morpholin-4-yl-N-(1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)acetamide.
What is the SMILES notation for 2-morpholin-4-yl-N-(1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)acetamide?
The canonical SMILES for 2-morpholin-4-yl-N-(1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)acetamide is CC1(C)OC2(C)CCC1CC2NC(=O)CN1CCOCC1.
What is the InChIKey of 2-morpholin-4-yl-N-(1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)acetamide?
The InChIKey is AZRBPFMOOFRFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-15(2)12-4-5-16(3,21-15)13(10-12)17-14(19)11-18-6-8-20-9-7-18/h12-13H,4-11H2,1-3H3,(H,17,19).
What are the key properties of 2-morpholin-4-yl-N-(1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)acetamide?
2-morpholin-4-yl-N-(1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)acetamide has a molecular weight of 296.41 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-(1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)acetamide is sourced from PubChem (CID 24840176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).