2-amino-2-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide

C15H21F3N2O — CID 79813973

IUPAC2-amino-2-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
SMILESCCC(N)(CC)C(=O)NC(C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H21F3N2O/c1-4-14(19,5-2)13(21)20-10(3)11-7-6-8-12(9-11)15(16,17)18/h6-10H,4-5,19H2,1-3H3,(H,20,21)
InChIKeyDGEINBCHCSVOKP-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.40
Rot. Bonds5

About 2-amino-2-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide

2-amino-2-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide (PubChem CID 79813973) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is 2-amino-2-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide.

Molecular Properties

Compound Name2-amino-2-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
PubChem CID79813973
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name2-amino-2-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
SMILESCCC(N)(CC)C(=O)NC(C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H21F3N2O/c1-4-14(19,5-2)13(21)20-10(3)11-7-6-8-12(9-11)15(16,17)18/h6-10H,4-5,19H2,1-3H3,(H,20,21)
InChIKeyDGEINBCHCSVOKP-UHFFFAOYSA-N
XLogP3.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-ethyl-N-[1-(3-fluorophenyl)ethyl]butanamide
CID 79814759
2-amino-2-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide;hydrochloride
CID 120587065
2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-2-ethylbutanamide
CID 81371976
2,2,3,3-tetrafluoro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 103732062
N-[1-[3-(trifluoromethyl)phenyl]ethyl]pentanamide
CID 78778424
3-amino-3-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide;hydrochloride
CID 119948966
2-(propan-2-ylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 60683177
(2S)-2-amino-3,3-dimethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 61180251
2-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-ethylbutanamide
CID 79814263
N-[1-[3-(trifluoromethyl)phenyl]ethyl]prop-2-enamide
CID 43699818
ethyl 2-[1-[3-(trifluoromethyl)phenyl]ethylamino]propanoate
CID 61498388
1-(aminomethyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide
CID 115452527

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide?
The IUPAC name of 2-amino-2-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide (CID 79813973) is 2-amino-2-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide.
What is the SMILES notation for 2-amino-2-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide?
The canonical SMILES for 2-amino-2-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide is CCC(N)(CC)C(=O)NC(C)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-amino-2-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide?
The InChIKey is DGEINBCHCSVOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-4-14(19,5-2)13(21)20-10(3)11-7-6-8-12(9-11)15(16,17)18/h6-10H,4-5,19H2,1-3H3,(H,20,21).
What are the key properties of 2-amino-2-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide?
2-amino-2-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide has a molecular weight of 302.34 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide is sourced from PubChem (CID 79813973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).