(2S)-2-(2-ethoxyethoxy)-N-ethyl-N-[4-(trifluoromethyl)phenyl]propanamide

C16H22F3NO3 — CID 124872005

IUPAC(2S)-2-(2-ethoxyethoxy)-N-ethyl-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESCCOCCO[C@@H](C)C(=O)N(CC)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H22F3NO3/c1-4-20(15(21)12(3)23-11-10-22-5-2)14-8-6-13(7-9-14)16(17,18)19/h6-9,12H,4-5,10-11H2,1-3H3/t12-/m0/s1
InChIKeyVIEOZCMSJQEAKF-LBPRGKRZSA-N
MW333.35 g/mol
LogP3.50
Rot. Bonds8

About (2S)-2-(2-ethoxyethoxy)-N-ethyl-N-[4-(trifluoromethyl)phenyl]propanamide

(2S)-2-(2-ethoxyethoxy)-N-ethyl-N-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 124872005) has the molecular formula C16H22F3NO3 and a molecular weight of 333.35 g/mol. Its IUPAC name is (2S)-2-(2-ethoxyethoxy)-N-ethyl-N-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(2-ethoxyethoxy)-N-ethyl-N-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID124872005
Molecular FormulaC16H22F3NO3
Molecular Weight333.35 g/mol
Exact Mass333.16
IUPAC Name(2S)-2-(2-ethoxyethoxy)-N-ethyl-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESCCOCCO[C@@H](C)C(=O)N(CC)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H22F3NO3/c1-4-20(15(21)12(3)23-11-10-22-5-2)14-8-6-13(7-9-14)16(17,18)19/h6-9,12H,4-5,10-11H2,1-3H3/t12-/m0/s1
InChIKeyVIEOZCMSJQEAKF-LBPRGKRZSA-N
XLogP3.50
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2,2-dimethyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 176738854
2-(2-ethoxyethoxy)ethyl 2-[4-(trifluoromethyl)phenoxy]acetate
CID 166194032
2-ethoxyethyl N'-butan-2-yl-N-[4-(trifluoromethyl)benzoyl]carbamimidate
CID 42665456
(2S)-N-ethyl-2-phenoxy-N-phenylpropanamide
CID 670227
[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl] 2-benzamidoacetate
CID 7783257
2-[N-methyl-4-(trifluoromethyl)anilino]butanoic acid
CID 62648084
butyl (2R)-2-[4-(trifluoromethyl)phenoxy]propanoate
CID 102301970
2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 172850156
N-ethyl-2-methyl-N-(4-methylphenyl)propanamide
CID 60737044
N-(3,4-difluorophenyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 55591847
methyl 2-(2-ethoxyethoxy)propanoate
CID 61234478
N-ethyl-N-methyl-2-[4-[propan-2-ylcarbamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]acetamide
CID 46046919

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-ethoxyethoxy)-N-ethyl-N-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of (2S)-2-(2-ethoxyethoxy)-N-ethyl-N-[4-(trifluoromethyl)phenyl]propanamide (CID 124872005) is (2S)-2-(2-ethoxyethoxy)-N-ethyl-N-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for (2S)-2-(2-ethoxyethoxy)-N-ethyl-N-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for (2S)-2-(2-ethoxyethoxy)-N-ethyl-N-[4-(trifluoromethyl)phenyl]propanamide is CCOCCO[C@@H](C)C(=O)N(CC)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2S)-2-(2-ethoxyethoxy)-N-ethyl-N-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is VIEOZCMSJQEAKF-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H22F3NO3/c1-4-20(15(21)12(3)23-11-10-22-5-2)14-8-6-13(7-9-14)16(17,18)19/h6-9,12H,4-5,10-11H2,1-3H3/t12-/m0/s1.
What are the key properties of (2S)-2-(2-ethoxyethoxy)-N-ethyl-N-[4-(trifluoromethyl)phenyl]propanamide?
(2S)-2-(2-ethoxyethoxy)-N-ethyl-N-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 333.35 g/mol, XLogP of 3.50, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-ethoxyethoxy)-N-ethyl-N-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 124872005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).