N-(2-hydroxypropyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide

C12H20F3NO2 — CID 79543923

IUPACN-(2-hydroxypropyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCC(O)CN(C)C(=O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H20F3NO2/c1-8(17)7-16(2)11(18)9-4-3-5-10(6-9)12(13,14)15/h8-10,17H,3-7H2,1-2H3
InChIKeyUJMOCLATMRAMEG-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.19
Rot. Bonds3

About N-(2-hydroxypropyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide

N-(2-hydroxypropyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 79543923) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID79543923
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC NameN-(2-hydroxypropyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCC(O)CN(C)C(=O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H20F3NO2/c1-8(17)7-16(2)11(18)9-4-3-5-10(6-9)12(13,14)15/h8-10,17H,3-7H2,1-2H3
InChIKeyUJMOCLATMRAMEG-UHFFFAOYSA-N
XLogP2.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-hydroxypropyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63784368
N-methoxy-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 78887822
N-(1-aminopropan-2-yl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119583364
N-(5-aminopentyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 107206782
2-[butan-2-yl-[3-(trifluoromethyl)cyclohexanecarbonyl]amino]acetic acid
CID 115320164
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 107491018
3-amino-N-(2-hydroxypropyl)-N-methylcyclopentane-1-carboxamide
CID 66007556
N-ethyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 78887932
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 78970946
3-methyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-one
CID 105091653
3-[(3-fluorocyclohexanecarbonyl)-methylamino]-2-methylpropanoic acid
CID 122126147
4-hydroxy-N-[(2S)-2-hydroxypropyl]-N-methylcyclohexane-1-carboxamide
CID 136582161

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(2-hydroxypropyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide (CID 79543923) is N-(2-hydroxypropyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-hydroxypropyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(2-hydroxypropyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide is CC(O)CN(C)C(=O)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-(2-hydroxypropyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is UJMOCLATMRAMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c1-8(17)7-16(2)11(18)9-4-3-5-10(6-9)12(13,14)15/h8-10,17H,3-7H2,1-2H3.
What are the key properties of N-(2-hydroxypropyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(2-hydroxypropyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 267.29 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 79543923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).