2-amino-N-ethyl-3,3,3-trifluoro-N-(3-hydroxyphenyl)-2-methylpropanamide

C12H15F3N2O2 — CID 107734887

IUPAC2-amino-N-ethyl-3,3,3-trifluoro-N-(3-hydroxyphenyl)-2-methylpropanamide
SMILESCCN(C(=O)C(C)(N)C(F)(F)F)c1cccc(O)c1
InChIInChI=1S/C12H15F3N2O2/c1-3-17(8-5-4-6-9(18)7-8)10(19)11(2,16)12(13,14)15/h4-7,18H,3,16H2,1-2H3
InChIKeyWAYALEMSEKYYEZ-UHFFFAOYSA-N
MW276.26 g/mol
LogP2.02
Rot. Bonds3

About 2-amino-N-ethyl-3,3,3-trifluoro-N-(3-hydroxyphenyl)-2-methylpropanamide

2-amino-N-ethyl-3,3,3-trifluoro-N-(3-hydroxyphenyl)-2-methylpropanamide (PubChem CID 107734887) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 2-amino-N-ethyl-3,3,3-trifluoro-N-(3-hydroxyphenyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-ethyl-3,3,3-trifluoro-N-(3-hydroxyphenyl)-2-methylpropanamide
PubChem CID107734887
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name2-amino-N-ethyl-3,3,3-trifluoro-N-(3-hydroxyphenyl)-2-methylpropanamide
SMILESCCN(C(=O)C(C)(N)C(F)(F)F)c1cccc(O)c1
InChIInChI=1S/C12H15F3N2O2/c1-3-17(8-5-4-6-9(18)7-8)10(19)11(2,16)12(13,14)15/h4-7,18H,3,16H2,1-2H3
InChIKeyWAYALEMSEKYYEZ-UHFFFAOYSA-N
XLogP2.02
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl-(3-hydroxyphenyl)carbamic acid
CID 20544636
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2-amino-N-ethyl-3,3,3-trifluoro-N-(2-fluorophenyl)-2-methylpropanamide
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methyl N-ethyl-N-(3-hydroxyphenyl)carbamate
CID 107734186
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N-ethyl-N-(3-hydroxyphenyl)heptanamide
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2-amino-N-ethyl-2-methyl-N-(3-methylphenyl)butanamide
CID 79805432
N-ethyl-4-hydroxy-N-(3-hydroxyphenyl)-2-methylbenzamide
CID 107735686
2,4-diamino-N-ethyl-N-(3-hydroxyphenyl)benzamide
CID 107733294
2-amino-N-(3-hydroxyphenyl)-N,2-dimethylpropanamide
CID 107734712
3-amino-4,4,4-trifluoro-1-(3-hydroxyphenyl)-3-methylbutan-2-one
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N-ethyl-N-(3-hydroxyphenyl)-3-methylbutanamide
CID 107736260

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-3,3,3-trifluoro-N-(3-hydroxyphenyl)-2-methylpropanamide?
The IUPAC name of 2-amino-N-ethyl-3,3,3-trifluoro-N-(3-hydroxyphenyl)-2-methylpropanamide (CID 107734887) is 2-amino-N-ethyl-3,3,3-trifluoro-N-(3-hydroxyphenyl)-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-ethyl-3,3,3-trifluoro-N-(3-hydroxyphenyl)-2-methylpropanamide?
The canonical SMILES for 2-amino-N-ethyl-3,3,3-trifluoro-N-(3-hydroxyphenyl)-2-methylpropanamide is CCN(C(=O)C(C)(N)C(F)(F)F)c1cccc(O)c1.
What is the InChIKey of 2-amino-N-ethyl-3,3,3-trifluoro-N-(3-hydroxyphenyl)-2-methylpropanamide?
The InChIKey is WAYALEMSEKYYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-3-17(8-5-4-6-9(18)7-8)10(19)11(2,16)12(13,14)15/h4-7,18H,3,16H2,1-2H3.
What are the key properties of 2-amino-N-ethyl-3,3,3-trifluoro-N-(3-hydroxyphenyl)-2-methylpropanamide?
2-amino-N-ethyl-3,3,3-trifluoro-N-(3-hydroxyphenyl)-2-methylpropanamide has a molecular weight of 276.26 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-3,3,3-trifluoro-N-(3-hydroxyphenyl)-2-methylpropanamide is sourced from PubChem (CID 107734887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).