N-[[4-(diethylaminomethyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide

C16H23F3N2O2 — CID 86990508

IUPACN-[[4-(diethylaminomethyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCCN(CC)Cc1ccc(CNC(=O)COCC(F)(F)F)cc1
InChIInChI=1S/C16H23F3N2O2/c1-3-21(4-2)10-14-7-5-13(6-8-14)9-20-15(22)11-23-12-16(17,18)19/h5-8H,3-4,9-12H2,1-2H3,(H,20,22)
InChIKeyMLJHDRDSMIXAIX-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.72
Rot. Bonds9

About N-[[4-(diethylaminomethyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide

N-[[4-(diethylaminomethyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 86990508) has the molecular formula C16H23F3N2O2 and a molecular weight of 332.37 g/mol. Its IUPAC name is N-[[4-(diethylaminomethyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[[4-(diethylaminomethyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID86990508
Molecular FormulaC16H23F3N2O2
Molecular Weight332.37 g/mol
Exact Mass332.17
IUPAC NameN-[[4-(diethylaminomethyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCCN(CC)Cc1ccc(CNC(=O)COCC(F)(F)F)cc1
InChIInChI=1S/C16H23F3N2O2/c1-3-21(4-2)10-14-7-5-13(6-8-14)9-20-15(22)11-23-12-16(17,18)19/h5-8H,3-4,9-12H2,1-2H3,(H,20,22)
InChIKeyMLJHDRDSMIXAIX-UHFFFAOYSA-N
XLogP2.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(2-aminoethyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103806176
3-bromo-N-[[4-(diethylaminomethyl)phenyl]methyl]propanamide
CID 113385133
N-[[4-(diethylaminomethyl)phenyl]methyl]-2-(2-fluorophenoxy)acetamide
CID 8947910
N-[[4-(diethylaminomethyl)phenyl]methyl]-2-(methylamino)acetamide
CID 61259556
4-[[4-(diethylaminomethyl)phenyl]methylamino]-4-oxobutanoic acid
CID 43580032
N-[2-[[4-(diethylaminomethyl)phenyl]methylamino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 31610326
2-(2-bromo-4-fluorophenoxy)-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide
CID 8948095
2-(2,4-dichlorophenoxy)-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide
CID 8947640
2-(2,5-dichlorophenoxy)-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide
CID 46665376
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 55712427
2-anilino-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide
CID 119835863
N-[4-(propylaminomethyl)phenyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 106910317

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylaminomethyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[[4-(diethylaminomethyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide (CID 86990508) is N-[[4-(diethylaminomethyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[[4-(diethylaminomethyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[[4-(diethylaminomethyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide is CCN(CC)Cc1ccc(CNC(=O)COCC(F)(F)F)cc1.
What is the InChIKey of N-[[4-(diethylaminomethyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is MLJHDRDSMIXAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O2/c1-3-21(4-2)10-14-7-5-13(6-8-14)9-20-15(22)11-23-12-16(17,18)19/h5-8H,3-4,9-12H2,1-2H3,(H,20,22).
What are the key properties of N-[[4-(diethylaminomethyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
N-[[4-(diethylaminomethyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 332.37 g/mol, XLogP of 2.72, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylaminomethyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 86990508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).