3-amino-N-ethyl-2-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide

C14H19F3N2O — CID 80552219

IUPAC3-amino-N-ethyl-2-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCN(CC(F)(F)F)C(=O)C(C)C(N)c1ccccc1
InChIInChI=1S/C14H19F3N2O/c1-3-19(9-14(15,16)17)13(20)10(2)12(18)11-7-5-4-6-8-11/h4-8,10,12H,3,9,18H2,1-2H3
InChIKeyQRZNORSUOWBLBL-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.73
Rot. Bonds5

About 3-amino-N-ethyl-2-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide

3-amino-N-ethyl-2-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 80552219) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 3-amino-N-ethyl-2-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name3-amino-N-ethyl-2-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID80552219
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name3-amino-N-ethyl-2-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCN(CC(F)(F)F)C(=O)C(C)C(N)c1ccccc1
InChIInChI=1S/C14H19F3N2O/c1-3-19(9-14(15,16)17)13(20)10(2)12(18)11-7-5-4-6-8-11/h4-8,10,12H,3,9,18H2,1-2H3
InChIKeyQRZNORSUOWBLBL-UHFFFAOYSA-N
XLogP2.73
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-butyl-2-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride
CID 119733462
3-amino-N-ethyl-N-(2-hydroxyethyl)-2-methyl-3-phenylpropanamide
CID 80552105
3-amino-2-methyl-N,N-bis(2-methylpropyl)-3-phenylpropanamide;hydrochloride
CID 119669067
3-amino-N-(cyclobutylmethyl)-N-ethyl-2-methyl-3-phenylpropanamide
CID 107398357
3-amino-N-ethyl-2-methyl-3-phenyl-N-(thiophen-2-ylmethyl)propanamide
CID 75468778
(2R)-2-amino-N-butyl-2-phenyl-N-(2,2,2-trifluoroethyl)acetamide
CID 61164511
3-amino-N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-2-methyl-3-phenylpropanamide
CID 119680720
2-amino-N-ethyl-2-thiophen-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 113279196
(2S,3S)-3-amino-2-methyl-3-phenylpropanoic acid;2,2,2-trifluoroacetic acid
CID 134926323
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-methyl-3-phenylpropanamide;hydrochloride
CID 119688298
3-amino-N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119737212
3-amino-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)-3-phenylpropanamide;hydrochloride
CID 119750532

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-2-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 3-amino-N-ethyl-2-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide (CID 80552219) is 3-amino-N-ethyl-2-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 3-amino-N-ethyl-2-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 3-amino-N-ethyl-2-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide is CCN(CC(F)(F)F)C(=O)C(C)C(N)c1ccccc1.
What is the InChIKey of 3-amino-N-ethyl-2-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is QRZNORSUOWBLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-3-19(9-14(15,16)17)13(20)10(2)12(18)11-7-5-4-6-8-11/h4-8,10,12H,3,9,18H2,1-2H3.
What are the key properties of 3-amino-N-ethyl-2-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide?
3-amino-N-ethyl-2-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 288.31 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-2-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 80552219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).