2,2-dimethyl-N-[2-[[7-(trifluoromethyl)quinolin-4-yl]amino]ethyl]propanamide

C17H20F3N3O — CID 133402575

IUPAC2,2-dimethyl-N-[2-[[7-(trifluoromethyl)quinolin-4-yl]amino]ethyl]propanamide
SMILESCC(C)(C)C(=O)NCCNc1ccnc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C17H20F3N3O/c1-16(2,3)15(24)23-9-8-22-13-6-7-21-14-10-11(17(18,19)20)4-5-12(13)14/h4-7,10H,8-9H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyZJEZCZUTGVJSML-UHFFFAOYSA-N
MW339.36 g/mol
LogP3.83
Rot. Bonds4

About 2,2-dimethyl-N-[2-[[7-(trifluoromethyl)quinolin-4-yl]amino]ethyl]propanamide

2,2-dimethyl-N-[2-[[7-(trifluoromethyl)quinolin-4-yl]amino]ethyl]propanamide (PubChem CID 133402575) has the molecular formula C17H20F3N3O and a molecular weight of 339.36 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-[[7-(trifluoromethyl)quinolin-4-yl]amino]ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-[[7-(trifluoromethyl)quinolin-4-yl]amino]ethyl]propanamide
PubChem CID133402575
Molecular FormulaC17H20F3N3O
Molecular Weight339.36 g/mol
Exact Mass339.16
IUPAC Name2,2-dimethyl-N-[2-[[7-(trifluoromethyl)quinolin-4-yl]amino]ethyl]propanamide
SMILESCC(C)(C)C(=O)NCCNc1ccnc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C17H20F3N3O/c1-16(2,3)15(24)23-9-8-22-13-6-7-21-14-10-11(17(18,19)20)4-5-12(13)14/h4-7,10H,8-9H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyZJEZCZUTGVJSML-UHFFFAOYSA-N
XLogP3.83
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-[[7-(trifluoromethyl)quinolin-4-yl]amino]acetamide
CID 86802912
N-[2-[(6-bromoquinolin-4-yl)amino]ethyl]-2,2-dimethylpropanamide
CID 133326780
4-[[[7-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexane-1-carboxylic acid
CID 164580415
N-(2-ethyl-2-methylsulfonylbutyl)-7-(trifluoromethyl)quinolin-4-amine
CID 133402646
[7-(trifluoromethyl)quinolin-4-yl]hydrazine
CID 15585954
1-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]ethanone;hydrochloride
CID 90485767
N-[2-methoxy-5-[[[7-(trifluoromethyl)quinolin-4-yl]amino]methyl]phenyl]acetamide
CID 133400854
N-methyl-4-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide;hydrochloride
CID 21433856
tert-butyl N-[2-[7-(trifluoromethyl)quinolin-4-yl]oxyethyl]carbamate
CID 142503862
N-[2-(cyclohexen-1-yl)ethyl]-7-(trifluoromethyl)quinolin-4-amine
CID 70113412
N-[4-(3-nitro-1,2,4-triazol-1-yl)butyl]-7-(trifluoromethyl)quinolin-4-amine
CID 56655655
N-(2-morpholin-4-ylsulfonylethyl)-7-(trifluoromethyl)quinolin-4-amine
CID 133405255

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-[[7-(trifluoromethyl)quinolin-4-yl]amino]ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-[[7-(trifluoromethyl)quinolin-4-yl]amino]ethyl]propanamide (CID 133402575) is 2,2-dimethyl-N-[2-[[7-(trifluoromethyl)quinolin-4-yl]amino]ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-[[7-(trifluoromethyl)quinolin-4-yl]amino]ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-[[7-(trifluoromethyl)quinolin-4-yl]amino]ethyl]propanamide is CC(C)(C)C(=O)NCCNc1ccnc2cc(C(F)(F)F)ccc12.
What is the InChIKey of 2,2-dimethyl-N-[2-[[7-(trifluoromethyl)quinolin-4-yl]amino]ethyl]propanamide?
The InChIKey is ZJEZCZUTGVJSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O/c1-16(2,3)15(24)23-9-8-22-13-6-7-21-14-10-11(17(18,19)20)4-5-12(13)14/h4-7,10H,8-9H2,1-3H3,(H,21,22)(H,23,24).
What are the key properties of 2,2-dimethyl-N-[2-[[7-(trifluoromethyl)quinolin-4-yl]amino]ethyl]propanamide?
2,2-dimethyl-N-[2-[[7-(trifluoromethyl)quinolin-4-yl]amino]ethyl]propanamide has a molecular weight of 339.36 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-[[7-(trifluoromethyl)quinolin-4-yl]amino]ethyl]propanamide is sourced from PubChem (CID 133402575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).