2,2-difluoro-N-(2-methoxyethyl)-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide

C14H22F2N2O3 — CID 164901797

IUPAC2,2-difluoro-N-(2-methoxyethyl)-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide
SMILESCOCCN(CC1C(=O)C2(C)CCN1CC2)C(=O)C(F)F
InChIInChI=1S/C14H22F2N2O3/c1-14-3-5-17(6-4-14)10(11(14)19)9-18(7-8-21-2)13(20)12(15)16/h10,12H,3-9H2,1-2H3
InChIKeyIHLVQOOLVKFZFK-UHFFFAOYSA-N
MW304.34 g/mol
LogP0.78
Rot. Bonds6

About 2,2-difluoro-N-(2-methoxyethyl)-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide

2,2-difluoro-N-(2-methoxyethyl)-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide (PubChem CID 164901797) has the molecular formula C14H22F2N2O3 and a molecular weight of 304.34 g/mol. Its IUPAC name is 2,2-difluoro-N-(2-methoxyethyl)-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-(2-methoxyethyl)-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide
PubChem CID164901797
Molecular FormulaC14H22F2N2O3
Molecular Weight304.34 g/mol
Exact Mass304.16
IUPAC Name2,2-difluoro-N-(2-methoxyethyl)-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide
SMILESCOCCN(CC1C(=O)C2(C)CCN1CC2)C(=O)C(F)F
InChIInChI=1S/C14H22F2N2O3/c1-14-3-5-17(6-4-14)10(11(14)19)9-18(7-8-21-2)13(20)12(15)16/h10,12H,3-9H2,1-2H3
InChIKeyIHLVQOOLVKFZFK-UHFFFAOYSA-N
XLogP0.78
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(2-methoxyethyl)-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide?
The IUPAC name of 2,2-difluoro-N-(2-methoxyethyl)-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide (CID 164901797) is 2,2-difluoro-N-(2-methoxyethyl)-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide.
What is the SMILES notation for 2,2-difluoro-N-(2-methoxyethyl)-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide?
The canonical SMILES for 2,2-difluoro-N-(2-methoxyethyl)-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide is COCCN(CC1C(=O)C2(C)CCN1CC2)C(=O)C(F)F.
What is the InChIKey of 2,2-difluoro-N-(2-methoxyethyl)-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide?
The InChIKey is IHLVQOOLVKFZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2O3/c1-14-3-5-17(6-4-14)10(11(14)19)9-18(7-8-21-2)13(20)12(15)16/h10,12H,3-9H2,1-2H3.
What are the key properties of 2,2-difluoro-N-(2-methoxyethyl)-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide?
2,2-difluoro-N-(2-methoxyethyl)-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide has a molecular weight of 304.34 g/mol, XLogP of 0.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(2-methoxyethyl)-N-[(4-methyl-3-oxo-1-azabicyclo[2.2.2]octan-2-yl)methyl]acetamide is sourced from PubChem (CID 164901797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).