cyclohexane;4-(4-ethylphenyl)butanamide;2-(trifluoromethyl)quinolin-4-amine

C28H36F3N3O — CID 163228896

IUPACcyclohexane;4-(4-ethylphenyl)butanamide;2-(trifluoromethyl)quinolin-4-amine
SMILESC1CCCCC1.CCc1ccc(CCCC(N)=O)cc1.Nc1cc(C(F)(F)F)nc2ccccc12
InChIInChI=1S/C12H17NO.C10H7F3N2.C6H12/c1-2-10-6-8-11(9-7-10)4-3-5-12(13)14;11-10(12,13)9-5-7(14)6-3-1-2-4-8(6)15-9;1-2-4-6-5-3-1/h6-9H,2-5H2,1H3,(H2,13,14);1-5H,(H2,14,15);1-6H2
InChIKeyIYJIZBCLWZUPHB-UHFFFAOYSA-N
MW487.61 g/mol
LogP7.23
Rot. Bonds5

About cyclohexane;4-(4-ethylphenyl)butanamide;2-(trifluoromethyl)quinolin-4-amine

cyclohexane;4-(4-ethylphenyl)butanamide;2-(trifluoromethyl)quinolin-4-amine (PubChem CID 163228896) has the molecular formula C28H36F3N3O and a molecular weight of 487.61 g/mol. Its IUPAC name is cyclohexane;4-(4-ethylphenyl)butanamide;2-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound Namecyclohexane;4-(4-ethylphenyl)butanamide;2-(trifluoromethyl)quinolin-4-amine
PubChem CID163228896
Molecular FormulaC28H36F3N3O
Molecular Weight487.61 g/mol
Exact Mass487.28
IUPAC Namecyclohexane;4-(4-ethylphenyl)butanamide;2-(trifluoromethyl)quinolin-4-amine
SMILESC1CCCCC1.CCc1ccc(CCCC(N)=O)cc1.Nc1cc(C(F)(F)F)nc2ccccc12
InChIInChI=1S/C12H17NO.C10H7F3N2.C6H12/c1-2-10-6-8-11(9-7-10)4-3-5-12(13)14;11-10(12,13)9-5-7(14)6-3-1-2-4-8(6)15-9;1-2-4-6-5-3-1/h6-9H,2-5H2,1H3,(H2,13,14);1-5H,(H2,14,15);1-6H2
InChIKeyIYJIZBCLWZUPHB-UHFFFAOYSA-N
XLogP7.23
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.61
LogP ≤ 57.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-1,3-dihydroisoindole-4-carboxamide;cyclohexane;2-(trifluoromethyl)quinolin-4-amine
CID 163228902
5-chloro-2-methoxypyridine-4-carboxamide;cyclohexane;2-(trifluoromethyl)quinolin-4-amine
CID 163229806
ethane;4-(4-ethylphenyl)butanamide
CID 142203218
2-(1,1-difluoroethyl)quinolin-4-amine
CID 170616673
4-[[2-(trifluoromethyl)quinolin-4-yl]methyl]benzamide
CID 22392850
6-bromoimidazo[1,2-a]pyridine-3-carboxamide;cyclohexane;2-(trifluoromethyl)quinolin-4-amine
CID 163229093
(6-ethyl-3,4-dihydro-2H-quinolin-1-yl)-[2-(trifluoromethyl)quinolin-4-yl]methanone
CID 167960427
4-amino-2-(trifluoromethyl)quinolin-6-ol
CID 170250530
4-amino-N-(2-amino-2-oxoethyl)-N-ethylquinoline-2-carboxamide
CID 103102039
6-chloro-2-(trifluoromethyl)quinolin-4-amine;cyclohexane;5-(difluoromethyl)-1-ethylpyrazole-4-carboxamide
CID 169217952
1-(4-aminoquinolin-2-yl)nonan-1-one
CID 116603523
7-methyl-2-(trifluoromethyl)quinolin-4-amine
CID 24947251

Frequently Asked Questions

What is the IUPAC name of cyclohexane;4-(4-ethylphenyl)butanamide;2-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of cyclohexane;4-(4-ethylphenyl)butanamide;2-(trifluoromethyl)quinolin-4-amine (CID 163228896) is cyclohexane;4-(4-ethylphenyl)butanamide;2-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for cyclohexane;4-(4-ethylphenyl)butanamide;2-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for cyclohexane;4-(4-ethylphenyl)butanamide;2-(trifluoromethyl)quinolin-4-amine is C1CCCCC1.CCc1ccc(CCCC(N)=O)cc1.Nc1cc(C(F)(F)F)nc2ccccc12.
What is the InChIKey of cyclohexane;4-(4-ethylphenyl)butanamide;2-(trifluoromethyl)quinolin-4-amine?
The InChIKey is IYJIZBCLWZUPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.C10H7F3N2.C6H12/c1-2-10-6-8-11(9-7-10)4-3-5-12(13)14;11-10(12,13)9-5-7(14)6-3-1-2-4-8(6)15-9;1-2-4-6-5-3-1/h6-9H,2-5H2,1H3,(H2,13,14);1-5H,(H2,14,15);1-6H2.
What are the key properties of cyclohexane;4-(4-ethylphenyl)butanamide;2-(trifluoromethyl)quinolin-4-amine?
cyclohexane;4-(4-ethylphenyl)butanamide;2-(trifluoromethyl)quinolin-4-amine has a molecular weight of 487.61 g/mol, XLogP of 7.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;4-(4-ethylphenyl)butanamide;2-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 163228896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).