[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate

C20H26FNO4 — CID 55372244

IUPAC[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
SMILESCOc1ccc(CN(C)C(=O)COC(=O)CC2CC3CCC2C3)cc1F
InChIInChI=1S/C20H26FNO4/c1-22(11-14-4-6-18(25-2)17(21)9-14)19(23)12-26-20(24)10-16-8-13-3-5-15(16)7-13/h4,6,9,13,15-16H,3,5,7-8,10-12H2,1-2H3
InChIKeyNZKONWAPWBDOPG-UHFFFAOYSA-N
MW363.43 g/mol
LogP3.16
Rot. Bonds7

About [2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate

[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate (PubChem CID 55372244) has the molecular formula C20H26FNO4 and a molecular weight of 363.43 g/mol. Its IUPAC name is [2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate.

Molecular Properties

Compound Name[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
PubChem CID55372244
Molecular FormulaC20H26FNO4
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC Name[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
SMILESCOc1ccc(CN(C)C(=O)COC(=O)CC2CC3CCC2C3)cc1F
InChIInChI=1S/C20H26FNO4/c1-22(11-14-4-6-18(25-2)17(21)9-14)19(23)12-26-20(24)10-16-8-13-3-5-15(16)7-13/h4,6,9,13,15-16H,3,5,7-8,10-12H2,1-2H3
InChIKeyNZKONWAPWBDOPG-UHFFFAOYSA-N
XLogP3.16
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate with MolForge

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Related Compounds

[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetate
CID 55374072
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82128248
1-(2-bicyclo[2.2.1]heptanyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]methanamine
CID 62734103
[2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 11932895
2-(2-aminoethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide
CID 79473063
[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate
CID 55374003
[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-thiophen-3-ylpropanoate
CID 55373457
2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylacetamide
CID 92801693
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 18556550
ethyl 2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoacetate
CID 115142014
[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 55372315
[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 55373143

Frequently Asked Questions

What is the IUPAC name of [2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate?
The IUPAC name of [2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate (CID 55372244) is [2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate.
What is the SMILES notation for [2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate?
The canonical SMILES for [2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate is COc1ccc(CN(C)C(=O)COC(=O)CC2CC3CCC2C3)cc1F.
What is the InChIKey of [2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate?
The InChIKey is NZKONWAPWBDOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FNO4/c1-22(11-14-4-6-18(25-2)17(21)9-14)19(23)12-26-20(24)10-16-8-13-3-5-15(16)7-13/h4,6,9,13,15-16H,3,5,7-8,10-12H2,1-2H3.
What are the key properties of [2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate?
[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate has a molecular weight of 363.43 g/mol, XLogP of 3.16, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate is sourced from PubChem (CID 55372244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).