2-amino-N-ethyl-3-phenylpropanamide;2,2,2-trifluoroacetic acid

C13H17F3N2O3 — CID 70927054

IUPAC2-amino-N-ethyl-3-phenylpropanamide;2,2,2-trifluoroacetic acid
SMILESCCNC(=O)C(N)Cc1ccccc1.O=C(O)C(F)(F)F
InChIInChI=1S/C11H16N2O.C2HF3O2/c1-2-13-11(14)10(12)8-9-6-4-3-5-7-9;3-2(4,5)1(6)7/h3-7,10H,2,8,12H2,1H3,(H,13,14);(H,6,7)
InChIKeyUREXGBWGPYKNJW-UHFFFAOYSA-N
MW306.28 g/mol
LogP1.33
Rot. Bonds4

About 2-amino-N-ethyl-3-phenylpropanamide;2,2,2-trifluoroacetic acid

2-amino-N-ethyl-3-phenylpropanamide;2,2,2-trifluoroacetic acid (PubChem CID 70927054) has the molecular formula C13H17F3N2O3 and a molecular weight of 306.28 g/mol. Its IUPAC name is 2-amino-N-ethyl-3-phenylpropanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-amino-N-ethyl-3-phenylpropanamide;2,2,2-trifluoroacetic acid
PubChem CID70927054
Molecular FormulaC13H17F3N2O3
Molecular Weight306.28 g/mol
Exact Mass306.12
IUPAC Name2-amino-N-ethyl-3-phenylpropanamide;2,2,2-trifluoroacetic acid
SMILESCCNC(=O)C(N)Cc1ccccc1.O=C(O)C(F)(F)F
InChIInChI=1S/C11H16N2O.C2HF3O2/c1-2-13-11(14)10(12)8-9-6-4-3-5-7-9;3-2(4,5)1(6)7/h3-7,10H,2,8,12H2,1H3,(H,13,14);(H,6,7)
InChIKeyUREXGBWGPYKNJW-UHFFFAOYSA-N
XLogP1.33
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-ethyl-3-phenylpropanamide;hydrochloride
CID 53409094
2-amino-N-[2-(ethylamino)-2-oxoethyl]-3-phenylpropanamide;hydrochloride
CID 119271418
(2S)-2-amino-3-phenyl-N-(5,5,5-trifluoropentyl)propanamide
CID 115519520
(2R)-2-amino-3-phenyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 103795784
2-amino-3-phenyl-N-(3-propoxypropyl)propanamide
CID 82942033
N-ethyl-2-methyl-3-phenylpropanamide
CID 58846627
(2S)-2-amino-N-(3,3-dimethylbutyl)-3-phenylpropanamide
CID 83306119
(2S)-2-amino-3-phenyl-N-(2-phenylethyl)propanamide;hydrochloride
CID 21308260
methyl 2-[(2-amino-3-phenylpropanoyl)amino]acetate;hydrochloride
CID 70536433
methyl 2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetate;hydrochloride
CID 13131506
(2S)-2-amino-N-(3,3-dimethylbutyl)-3-phenylpropanamide;hydrochloride
CID 119279534
2-amino-N-(2-methylbutyl)-3-phenylpropanamide
CID 55108121

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-3-phenylpropanamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-amino-N-ethyl-3-phenylpropanamide;2,2,2-trifluoroacetic acid (CID 70927054) is 2-amino-N-ethyl-3-phenylpropanamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-amino-N-ethyl-3-phenylpropanamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-amino-N-ethyl-3-phenylpropanamide;2,2,2-trifluoroacetic acid is CCNC(=O)C(N)Cc1ccccc1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-amino-N-ethyl-3-phenylpropanamide;2,2,2-trifluoroacetic acid?
The InChIKey is UREXGBWGPYKNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O.C2HF3O2/c1-2-13-11(14)10(12)8-9-6-4-3-5-7-9;3-2(4,5)1(6)7/h3-7,10H,2,8,12H2,1H3,(H,13,14);(H,6,7).
What are the key properties of 2-amino-N-ethyl-3-phenylpropanamide;2,2,2-trifluoroacetic acid?
2-amino-N-ethyl-3-phenylpropanamide;2,2,2-trifluoroacetic acid has a molecular weight of 306.28 g/mol, XLogP of 1.33, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-3-phenylpropanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 70927054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).