2-[[2-(2-fluorophenoxy)acetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide

C20H23FN2O3 — CID 7478596

IUPAC2-[[2-(2-fluorophenoxy)acetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN(C)C(=O)COc2ccccc2F)c(C)c1
InChIInChI=1S/C20H23FN2O3/c1-13-9-14(2)20(15(3)10-13)22-18(24)11-23(4)19(25)12-26-17-8-6-5-7-16(17)21/h5-10H,11-12H2,1-4H3,(H,22,24)
InChIKeyHKRRMOASDFRWTD-UHFFFAOYSA-N
MW358.41 g/mol
LogP3.23
Rot. Bonds6

About 2-[[2-(2-fluorophenoxy)acetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide

2-[[2-(2-fluorophenoxy)acetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 7478596) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is 2-[[2-(2-fluorophenoxy)acetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(2-fluorophenoxy)acetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID7478596
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Name2-[[2-(2-fluorophenoxy)acetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN(C)C(=O)COc2ccccc2F)c(C)c1
InChIInChI=1S/C20H23FN2O3/c1-13-9-14(2)20(15(3)10-13)22-18(24)11-23(4)19(25)12-26-17-8-6-5-7-16(17)21/h5-10H,11-12H2,1-4H3,(H,22,24)
InChIKeyHKRRMOASDFRWTD-UHFFFAOYSA-N
XLogP3.23
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2,3-dimethylphenoxy)acetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 8752558
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-(2-fluorophenoxy)acetate
CID 7842401
N-(2-chlorophenyl)-2-[[2-(2-fluorophenoxy)acetyl]-methylamino]acetamide
CID 7434026
2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 8752660
2-[[2-(4-iodophenoxy)acetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 112761998
2-[[2-(2,4-dimethylphenoxy)acetyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 9440975
2-[[2-(2-cyanophenoxy)acetyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 9437513
2-methoxy-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 27783988
2-[[2-(2,5-difluorophenoxy)acetyl]-methylamino]-N-(5-methyl-2-pyridinyl)acetamide
CID 56781356
N-(2,6-dimethylphenyl)-2-[methyl-[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 9437519
N-(2,6-dimethylphenyl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide
CID 9222182
2-amino-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 119291379

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-fluorophenoxy)acetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[[2-(2-fluorophenoxy)acetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide (CID 7478596) is 2-[[2-(2-fluorophenoxy)acetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(2-fluorophenoxy)acetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[[2-(2-fluorophenoxy)acetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CN(C)C(=O)COc2ccccc2F)c(C)c1.
What is the InChIKey of 2-[[2-(2-fluorophenoxy)acetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is HKRRMOASDFRWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3/c1-13-9-14(2)20(15(3)10-13)22-18(24)11-23(4)19(25)12-26-17-8-6-5-7-16(17)21/h5-10H,11-12H2,1-4H3,(H,22,24).
What are the key properties of 2-[[2-(2-fluorophenoxy)acetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide?
2-[[2-(2-fluorophenoxy)acetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 358.41 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-fluorophenoxy)acetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 7478596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).