N-ethyl-3-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)propanamide

C14H18F3NO2 — CID 78858628

IUPACN-ethyl-3-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCN(CC(F)(F)F)C(=O)CCc1ccc(OC)cc1
InChIInChI=1S/C14H18F3NO2/c1-3-18(10-14(15,16)17)13(19)9-6-11-4-7-12(20-2)8-5-11/h4-5,7-8H,3,6,9-10H2,1-2H3
InChIKeyLOJGIZKSOYAYQR-UHFFFAOYSA-N
MW289.30 g/mol
LogP3.04
Rot. Bonds6

About N-ethyl-3-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)propanamide

N-ethyl-3-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 78858628) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is N-ethyl-3-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound NameN-ethyl-3-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID78858628
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC NameN-ethyl-3-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCN(CC(F)(F)F)C(=O)CCc1ccc(OC)cc1
InChIInChI=1S/C14H18F3NO2/c1-3-18(10-14(15,16)17)13(19)9-6-11-4-7-12(20-2)8-5-11/h4-5,7-8H,3,6,9-10H2,1-2H3
InChIKeyLOJGIZKSOYAYQR-UHFFFAOYSA-N
XLogP3.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloroethyl)-3-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 107492222
N-ethyl-3-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 78858762
ethyl 2-[ethyl-[3-(4-methoxyphenyl)propanoyl]amino]acetate
CID 61022615
N-(3-bromopropyl)-N-ethyl-3-(4-methoxyphenyl)propanamide
CID 113469211
N-ethyl-2-(3-fluoro-4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 78858686
N-[2-(4-methoxyphenoxy)ethyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 78794099
N-(3-amino-2,2-dimethylpropyl)-3-(4-methoxyphenyl)-N-methylpropanamide
CID 79652961
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-(4-methoxyphenyl)acetamide
CID 79667818
N-ethyl-N-(2,2,2-trifluoroethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 78858653
4-chloro-N-ethyl-N-[(4-methoxyphenyl)methyl]butanamide
CID 63307538
3-[4-(dimethylamino)phenyl]-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide
CID 79377688
3-(2-aminophenyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 120609423

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of N-ethyl-3-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)propanamide (CID 78858628) is N-ethyl-3-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for N-ethyl-3-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for N-ethyl-3-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)propanamide is CCN(CC(F)(F)F)C(=O)CCc1ccc(OC)cc1.
What is the InChIKey of N-ethyl-3-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is LOJGIZKSOYAYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2/c1-3-18(10-14(15,16)17)13(19)9-6-11-4-7-12(20-2)8-5-11/h4-5,7-8H,3,6,9-10H2,1-2H3.
What are the key properties of N-ethyl-3-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)propanamide?
N-ethyl-3-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 289.30 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 78858628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).