N-[1-(3,4-diethoxyphenyl)ethyl]-2-phenyl-2-(2,2,2-trifluoroethoxy)acetamide

C22H26F3NO4 — CID 47071495

IUPACN-[1-(3,4-diethoxyphenyl)ethyl]-2-phenyl-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCCOc1ccc(C(C)NC(=O)C(OCC(F)(F)F)c2ccccc2)cc1OCC
InChIInChI=1S/C22H26F3NO4/c1-4-28-18-12-11-17(13-19(18)29-5-2)15(3)26-21(27)20(30-14-22(23,24)25)16-9-7-6-8-10-16/h6-13,15,20H,4-5,14H2,1-3H3,(H,26,27)
InChIKeySWBQVBUWASXKHG-UHFFFAOYSA-N
MW425.45 g/mol
LogP4.98
Rot. Bonds10

About N-[1-(3,4-diethoxyphenyl)ethyl]-2-phenyl-2-(2,2,2-trifluoroethoxy)acetamide

N-[1-(3,4-diethoxyphenyl)ethyl]-2-phenyl-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 47071495) has the molecular formula C22H26F3NO4 and a molecular weight of 425.45 g/mol. Its IUPAC name is N-[1-(3,4-diethoxyphenyl)ethyl]-2-phenyl-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[1-(3,4-diethoxyphenyl)ethyl]-2-phenyl-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID47071495
Molecular FormulaC22H26F3NO4
Molecular Weight425.45 g/mol
Exact Mass425.18
IUPAC NameN-[1-(3,4-diethoxyphenyl)ethyl]-2-phenyl-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCCOc1ccc(C(C)NC(=O)C(OCC(F)(F)F)c2ccccc2)cc1OCC
InChIInChI=1S/C22H26F3NO4/c1-4-28-18-12-11-17(13-19(18)29-5-2)15(3)26-21(27)20(30-14-22(23,24)25)16-9-7-6-8-10-16/h6-13,15,20H,4-5,14H2,1-3H3,(H,26,27)
InChIKeySWBQVBUWASXKHG-UHFFFAOYSA-N
XLogP4.98
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-2-(trifluoromethyl)benzamide
CID 2573137
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-phenylacetamide
CID 7311223
(2S)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 38016623
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 7936459
N-[1-(3,4-diethoxyphenyl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56505683
3,4-diethoxy-N-(1-phenylethyl)benzamide
CID 3369950
N-[(2S)-1-[1-(3,4-diethoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 55942577
3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]propanamide
CID 119267772
2-amino-N-[1-(3,4-diethoxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120983475
2-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide
CID 3554699
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3-phenylsulfanylpropanamide
CID 9437337
(2S)-2-(3-chlorophenoxy)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]propanamide
CID 38016906

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-diethoxyphenyl)ethyl]-2-phenyl-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[1-(3,4-diethoxyphenyl)ethyl]-2-phenyl-2-(2,2,2-trifluoroethoxy)acetamide (CID 47071495) is N-[1-(3,4-diethoxyphenyl)ethyl]-2-phenyl-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[1-(3,4-diethoxyphenyl)ethyl]-2-phenyl-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[1-(3,4-diethoxyphenyl)ethyl]-2-phenyl-2-(2,2,2-trifluoroethoxy)acetamide is CCOc1ccc(C(C)NC(=O)C(OCC(F)(F)F)c2ccccc2)cc1OCC.
What is the InChIKey of N-[1-(3,4-diethoxyphenyl)ethyl]-2-phenyl-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is SWBQVBUWASXKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3NO4/c1-4-28-18-12-11-17(13-19(18)29-5-2)15(3)26-21(27)20(30-14-22(23,24)25)16-9-7-6-8-10-16/h6-13,15,20H,4-5,14H2,1-3H3,(H,26,27).
What are the key properties of N-[1-(3,4-diethoxyphenyl)ethyl]-2-phenyl-2-(2,2,2-trifluoroethoxy)acetamide?
N-[1-(3,4-diethoxyphenyl)ethyl]-2-phenyl-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 425.45 g/mol, XLogP of 4.98, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-diethoxyphenyl)ethyl]-2-phenyl-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 47071495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).