N-(4-methylphenyl)-2-[4-[2-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]acetamide

C25H25F3N2O2 — CID 166670928

IUPACN-(4-methylphenyl)-2-[4-[2-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]acetamide
SMILESCc1ccc(NC(=O)CC2CCC(Oc3cc(C(F)(F)F)nc4ccccc34)CC2)cc1
InChIInChI=1S/C25H25F3N2O2/c1-16-6-10-18(11-7-16)29-24(31)14-17-8-12-19(13-9-17)32-22-15-23(25(26,27)28)30-21-5-3-2-4-20(21)22/h2-7,10-11,15,17,19H,8-9,12-14H2,1H3,(H,29,31)
InChIKeyLOALHTXGVXIDFV-UHFFFAOYSA-N
MW442.48 g/mol
LogP6.53
Rot. Bonds5

About N-(4-methylphenyl)-2-[4-[2-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]acetamide

N-(4-methylphenyl)-2-[4-[2-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]acetamide (PubChem CID 166670928) has the molecular formula C25H25F3N2O2 and a molecular weight of 442.48 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[4-[2-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[4-[2-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]acetamide
PubChem CID166670928
Molecular FormulaC25H25F3N2O2
Molecular Weight442.48 g/mol
Exact Mass442.19
IUPAC NameN-(4-methylphenyl)-2-[4-[2-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]acetamide
SMILESCc1ccc(NC(=O)CC2CCC(Oc3cc(C(F)(F)F)nc4ccccc34)CC2)cc1
InChIInChI=1S/C25H25F3N2O2/c1-16-6-10-18(11-7-16)29-24(31)14-17-8-12-19(13-9-17)32-22-15-23(25(26,27)28)30-21-5-3-2-4-20(21)22/h2-7,10-11,15,17,19H,8-9,12-14H2,1H3,(H,29,31)
InChIKeyLOALHTXGVXIDFV-UHFFFAOYSA-N
XLogP6.53
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.48
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-methylphenyl)-2-[4-[2-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[2-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]butanoic acid
CID 121333323
4-chloro-N-[1-[4-[2-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]propyl]benzamide
CID 121318779
2-cyclopropyl-N-phenylacetamide
CID 60753326
N-(4-methylphenyl)-2-[4-[6-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]butanamide
CID 166670791
2-[3-[2-(4-methylanilino)-2-oxoethyl]cyclohexyl]-N-(4-methylphenyl)acetamide
CID 58862999
N-(4-fluorophenyl)-2-[2-(4-methylphenyl)quinolin-4-yl]oxyacetamide
CID 46298901
2-(cyclopropylmethylamino)-N-(4-methylphenyl)acetamide
CID 28566911
2-[(3aR,6aS)-5-quinolin-4-yloxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-N-(4-chlorophenyl)acetamide
CID 155087668
2-cyclopropyl-N-(4-methoxyphenyl)acetamide
CID 3008382
2-cyclopentyl-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]acetamide
CID 167818077
N-(4-methylphenyl)-3-[(2-methylquinolin-4-yl)amino]propanamide
CID 44596231
tert-butyl N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]carbamate
CID 163267387

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[4-[2-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]acetamide?
The IUPAC name of N-(4-methylphenyl)-2-[4-[2-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]acetamide (CID 166670928) is N-(4-methylphenyl)-2-[4-[2-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[4-[2-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-[4-[2-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]acetamide is Cc1ccc(NC(=O)CC2CCC(Oc3cc(C(F)(F)F)nc4ccccc34)CC2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-[4-[2-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]acetamide?
The InChIKey is LOALHTXGVXIDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N2O2/c1-16-6-10-18(11-7-16)29-24(31)14-17-8-12-19(13-9-17)32-22-15-23(25(26,27)28)30-21-5-3-2-4-20(21)22/h2-7,10-11,15,17,19H,8-9,12-14H2,1H3,(H,29,31).
What are the key properties of N-(4-methylphenyl)-2-[4-[2-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]acetamide?
N-(4-methylphenyl)-2-[4-[2-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]acetamide has a molecular weight of 442.48 g/mol, XLogP of 6.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-[4-[2-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]acetamide is sourced from PubChem (CID 166670928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).