N-(1-amino-3-phenylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide

C13H17F3N2O2 — CID 103212909

IUPACN-(1-amino-3-phenylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESNCC(Cc1ccccc1)NC(=O)COCC(F)(F)F
InChIInChI=1S/C13H17F3N2O2/c14-13(15,16)9-20-8-12(19)18-11(7-17)6-10-4-2-1-3-5-10/h1-5,11H,6-9,17H2,(H,18,19)
InChIKeyXQCRWOSTTPVZDU-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.25
Rot. Bonds7

About N-(1-amino-3-phenylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(1-amino-3-phenylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103212909) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.29 g/mol. Its IUPAC name is N-(1-amino-3-phenylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(1-amino-3-phenylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103212909
Molecular FormulaC13H17F3N2O2
Molecular Weight290.29 g/mol
Exact Mass290.12
IUPAC NameN-(1-amino-3-phenylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESNCC(Cc1ccccc1)NC(=O)COCC(F)(F)F
InChIInChI=1S/C13H17F3N2O2/c14-13(15,16)9-20-8-12(19)18-11(7-17)6-10-4-2-1-3-5-10/h1-5,11H,6-9,17H2,(H,18,19)
InChIKeyXQCRWOSTTPVZDU-UHFFFAOYSA-N
XLogP1.25
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-3-phenylpropan-2-yl)-2-propoxyacetamide
CID 107941600
N-(1-aminobutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103209512
N-benzhydryl-2-(2,2,2-trifluoroethoxy)acetamide
CID 86915357
2-(2-aminoethoxy)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide
CID 107863070
N-[(1S)-2-hydroxy-1-phenylethyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103945351
[1-phenyl-3-(2,2,2-trifluoroethoxy)propan-2-yl]hydrazine
CID 103217246
N-[(2R)-3-methyl-3-phenylbutan-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 95308028
N-[(2S)-3-methyl-3-phenylbutan-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 95308027
3,3,3-trifluoro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]propanamide
CID 95040090
2,2,2-trifluoroethyl N-[(2S)-1-amino-3-phenylpropan-2-yl]carbamate;2,2,2-trifluoroethyl N-[(2S)-1-[(4-methylbenzoyl)amino]-3-phenylpropan-2-yl]carbamate;hydrochloride
CID 158924714
(2S)-3-phenyl-2-[[2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetyl]amino]propanoic acid
CID 119366611
3-phenyl-2-(2,2,2-trifluoroethoxycarbonylamino)propanoic acid
CID 60706861

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-phenylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(1-amino-3-phenylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 103212909) is N-(1-amino-3-phenylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(1-amino-3-phenylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(1-amino-3-phenylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide is NCC(Cc1ccccc1)NC(=O)COCC(F)(F)F.
What is the InChIKey of N-(1-amino-3-phenylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is XQCRWOSTTPVZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c14-13(15,16)9-20-8-12(19)18-11(7-17)6-10-4-2-1-3-5-10/h1-5,11H,6-9,17H2,(H,18,19).
What are the key properties of N-(1-amino-3-phenylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(1-amino-3-phenylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 290.29 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-phenylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103212909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).