N-(2-methylcyclohexyl)-2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]acetamide

C18H25F3N2O — CID 60502177

IUPACN-(2-methylcyclohexyl)-2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]acetamide
SMILESCC1CCCCC1NC(=O)CN(C)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H25F3N2O/c1-13-6-3-4-9-16(13)22-17(24)12-23(2)11-14-7-5-8-15(10-14)18(19,20)21/h5,7-8,10,13,16H,3-4,6,9,11-12H2,1-2H3,(H,22,24)
InChIKeyAGANMXXTGPGRAY-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.83
Rot. Bonds5

About N-(2-methylcyclohexyl)-2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]acetamide

N-(2-methylcyclohexyl)-2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]acetamide (PubChem CID 60502177) has the molecular formula C18H25F3N2O and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]acetamide
PubChem CID60502177
Molecular FormulaC18H25F3N2O
Molecular Weight342.40 g/mol
Exact Mass342.19
IUPAC NameN-(2-methylcyclohexyl)-2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]acetamide
SMILESCC1CCCCC1NC(=O)CN(C)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H25F3N2O/c1-13-6-3-4-9-16(13)22-17(24)12-23(2)11-14-7-5-8-15(10-14)18(19,20)21/h5,7-8,10,13,16H,3-4,6,9,11-12H2,1-2H3,(H,22,24)
InChIKeyAGANMXXTGPGRAY-UHFFFAOYSA-N
XLogP3.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromophenyl)methyl-methylamino]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 8709638
N-[(1R,2R)-2-methylcyclohexyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 8024431
N-[(1R,2R)-2-methylcyclohexyl]-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide
CID 8559717
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 8709179
2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 43080931
N-(3-methylbutan-2-yl)-2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 60502342
2-[(5-bromothiophen-3-yl)methyl-methylamino]-N-(2-methylcyclohexyl)acetamide
CID 60585169
N-(2-methylcyclohexyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 46535941
1-(3,5-dimethylpiperidin-1-yl)-2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]ethanone
CID 60502308
N-[(1R,2S)-2-methylcyclohexyl]-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetamide
CID 8677114
(E)-N-(2-methylcyclohexyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 6219909
2-[benzyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2315099

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]acetamide?
The IUPAC name of N-(2-methylcyclohexyl)-2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]acetamide (CID 60502177) is N-(2-methylcyclohexyl)-2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]acetamide.
What is the SMILES notation for N-(2-methylcyclohexyl)-2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]acetamide?
The canonical SMILES for N-(2-methylcyclohexyl)-2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]acetamide is CC1CCCCC1NC(=O)CN(C)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2-methylcyclohexyl)-2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]acetamide?
The InChIKey is AGANMXXTGPGRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O/c1-13-6-3-4-9-16(13)22-17(24)12-23(2)11-14-7-5-8-15(10-14)18(19,20)21/h5,7-8,10,13,16H,3-4,6,9,11-12H2,1-2H3,(H,22,24).
What are the key properties of N-(2-methylcyclohexyl)-2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]acetamide?
N-(2-methylcyclohexyl)-2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]acetamide has a molecular weight of 342.40 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]acetamide is sourced from PubChem (CID 60502177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).