2-(2-bicyclo[2.2.1]heptanyl)-N-(2,6-dimethyl-4-morpholin-4-ylphenyl)acetamide

C21H30N2O2 — CID 11660177

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-(2,6-dimethyl-4-morpholin-4-ylphenyl)acetamide
SMILESCc1cc(N2CCOCC2)cc(C)c1NC(=O)CC1CC2CCC1C2
InChIInChI=1S/C21H30N2O2/c1-14-9-19(23-5-7-25-8-6-23)10-15(2)21(14)22-20(24)13-18-12-16-3-4-17(18)11-16/h9-10,16-18H,3-8,11-13H2,1-2H3,(H,22,24)
InChIKeyGTZXKLYUHHQHSC-UHFFFAOYSA-N
MW342.48 g/mol
LogP3.90
Rot. Bonds4

About 2-(2-bicyclo[2.2.1]heptanyl)-N-(2,6-dimethyl-4-morpholin-4-ylphenyl)acetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-(2,6-dimethyl-4-morpholin-4-ylphenyl)acetamide (PubChem CID 11660177) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-(2,6-dimethyl-4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-(2,6-dimethyl-4-morpholin-4-ylphenyl)acetamide
PubChem CID11660177
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-(2,6-dimethyl-4-morpholin-4-ylphenyl)acetamide
SMILESCc1cc(N2CCOCC2)cc(C)c1NC(=O)CC1CC2CCC1C2
InChIInChI=1S/C21H30N2O2/c1-14-9-19(23-5-7-25-8-6-23)10-15(2)21(14)22-20(24)13-18-12-16-3-4-17(18)11-16/h9-10,16-18H,3-8,11-13H2,1-2H3,(H,22,24)
InChIKeyGTZXKLYUHHQHSC-UHFFFAOYSA-N
XLogP3.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(2,6-dimethyl-4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-(2,6-dimethyl-4-morpholin-4-ylphenyl)acetamide (CID 11660177) is 2-(2-bicyclo[2.2.1]heptanyl)-N-(2,6-dimethyl-4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-(2,6-dimethyl-4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-(2,6-dimethyl-4-morpholin-4-ylphenyl)acetamide is Cc1cc(N2CCOCC2)cc(C)c1NC(=O)CC1CC2CCC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-(2,6-dimethyl-4-morpholin-4-ylphenyl)acetamide?
The InChIKey is GTZXKLYUHHQHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-14-9-19(23-5-7-25-8-6-23)10-15(2)21(14)22-20(24)13-18-12-16-3-4-17(18)11-16/h9-10,16-18H,3-8,11-13H2,1-2H3,(H,22,24).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-(2,6-dimethyl-4-morpholin-4-ylphenyl)acetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-(2,6-dimethyl-4-morpholin-4-ylphenyl)acetamide has a molecular weight of 342.48 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-N-(2,6-dimethyl-4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 11660177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).