N-(2-hydroxypropyl)-N-propan-2-yl-2-[4-(trifluoromethyl)cyclohexyl]acetamide

C15H26F3NO2 — CID 75502853

IUPACN-(2-hydroxypropyl)-N-propan-2-yl-2-[4-(trifluoromethyl)cyclohexyl]acetamide
SMILESCC(O)CN(C(=O)CC1CCC(C(F)(F)F)CC1)C(C)C
InChIInChI=1S/C15H26F3NO2/c1-10(2)19(9-11(3)20)14(21)8-12-4-6-13(7-5-12)15(16,17)18/h10-13,20H,4-9H2,1-3H3
InChIKeyZZHMCRZORLFPGI-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.36
Rot. Bonds5

About N-(2-hydroxypropyl)-N-propan-2-yl-2-[4-(trifluoromethyl)cyclohexyl]acetamide

N-(2-hydroxypropyl)-N-propan-2-yl-2-[4-(trifluoromethyl)cyclohexyl]acetamide (PubChem CID 75502853) has the molecular formula C15H26F3NO2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-N-propan-2-yl-2-[4-(trifluoromethyl)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-N-propan-2-yl-2-[4-(trifluoromethyl)cyclohexyl]acetamide
PubChem CID75502853
Molecular FormulaC15H26F3NO2
Molecular Weight309.37 g/mol
Exact Mass309.19
IUPAC NameN-(2-hydroxypropyl)-N-propan-2-yl-2-[4-(trifluoromethyl)cyclohexyl]acetamide
SMILESCC(O)CN(C(=O)CC1CCC(C(F)(F)F)CC1)C(C)C
InChIInChI=1S/C15H26F3NO2/c1-10(2)19(9-11(3)20)14(21)8-12-4-6-13(7-5-12)15(16,17)18/h10-13,20H,4-9H2,1-3H3
InChIKeyZZHMCRZORLFPGI-UHFFFAOYSA-N
XLogP3.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-2-hydroxypropyl]-N-propan-2-yl-2-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 97813441
8-methyl-2-[(2S)-4,4,4-trifluoro-2-hydroxybutyl]-2-azaspiro[4.5]decane-1,3-dione
CID 129400075
(4,4-difluorocyclohexyl)-[(4R)-2-ethyl-4-hydroxypyrrolidin-1-yl]methanone
CID 67953777
(4,4-difluorocyclohexyl)-[(4S)-2-ethyl-4-hydroxypyrrolidin-1-yl]methanone
CID 67953869
(4,4-Difluorocyclohexyl)-(4-hydroxy-2-methylpyrrolidin-1-yl)methanone
CID 91524772
(4,4-difluorocyclohexyl)-[(4R)-4-hydroxy-2-methylpyrrolidin-1-yl]methanone
CID 117884710
(4,4-difluorocyclohexyl)-[(4S)-4-hydroxy-2-methylpyrrolidin-1-yl]methanone
CID 117884749
(2-Butan-2-yl-5-fluorocyclohexyl)-(3-hydroxyazetidin-1-yl)methanone
CID 175488941
N-ethyl-N-(2-hydroxyethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 78887932
N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 79291322
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 79487315
N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 79543694

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-N-propan-2-yl-2-[4-(trifluoromethyl)cyclohexyl]acetamide?
The IUPAC name of N-(2-hydroxypropyl)-N-propan-2-yl-2-[4-(trifluoromethyl)cyclohexyl]acetamide (CID 75502853) is N-(2-hydroxypropyl)-N-propan-2-yl-2-[4-(trifluoromethyl)cyclohexyl]acetamide.
What is the SMILES notation for N-(2-hydroxypropyl)-N-propan-2-yl-2-[4-(trifluoromethyl)cyclohexyl]acetamide?
The canonical SMILES for N-(2-hydroxypropyl)-N-propan-2-yl-2-[4-(trifluoromethyl)cyclohexyl]acetamide is CC(O)CN(C(=O)CC1CCC(C(F)(F)F)CC1)C(C)C.
What is the InChIKey of N-(2-hydroxypropyl)-N-propan-2-yl-2-[4-(trifluoromethyl)cyclohexyl]acetamide?
The InChIKey is ZZHMCRZORLFPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3NO2/c1-10(2)19(9-11(3)20)14(21)8-12-4-6-13(7-5-12)15(16,17)18/h10-13,20H,4-9H2,1-3H3.
What are the key properties of N-(2-hydroxypropyl)-N-propan-2-yl-2-[4-(trifluoromethyl)cyclohexyl]acetamide?
N-(2-hydroxypropyl)-N-propan-2-yl-2-[4-(trifluoromethyl)cyclohexyl]acetamide has a molecular weight of 309.37 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-N-propan-2-yl-2-[4-(trifluoromethyl)cyclohexyl]acetamide is sourced from PubChem (CID 75502853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).