N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide

C15H26F3NO3 — CID 111112881

IUPACN-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(C)(C)C1CCC(O)(CNC(=O)COCC(F)(F)F)CC1
InChIInChI=1S/C15H26F3NO3/c1-13(2,3)11-4-6-14(21,7-5-11)9-19-12(20)8-22-10-15(16,17)18/h11,21H,4-10H2,1-3H3,(H,19,20)
InChIKeyMRVODWDLFSTGAM-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.65
Rot. Bonds5

About N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide

N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 111112881) has the molecular formula C15H26F3NO3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID111112881
Molecular FormulaC15H26F3NO3
Molecular Weight325.37 g/mol
Exact Mass325.19
IUPAC NameN-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(C)(C)C1CCC(O)(CNC(=O)COCC(F)(F)F)CC1
InChIInChI=1S/C15H26F3NO3/c1-13(2,3)11-4-6-14(21,7-5-11)9-19-12(20)8-22-10-15(16,17)18/h11,21H,4-10H2,1-3H3,(H,19,20)
InChIKeyMRVODWDLFSTGAM-UHFFFAOYSA-N
XLogP2.65
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(aminomethyl)cyclohexyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212976
2,2,2-trifluoroethyl N-[(4-ethyl-1-hydroxycyclohexyl)methyl]carbamate
CID 65173907
N-[[2-(aminomethyl)cyclohexyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212934
tert-butyl N-[1-[[[2-(2,2,2-trifluoroethoxy)acetyl]amino]methyl]cycloheptyl]carbamate
CID 87036408
N-(2-amino-2-methylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103807475
2-ethoxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]acetamide
CID 65119187
2-cyclopropyl-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]propanoic acid
CID 113352873
N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 95622373
N-(3-hydroxy-2,2-dimethylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103820669
N-(3,3-dimethyl-2-oxobutyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103867644
N-pent-3-ynyl-2-(2,2,2-trifluoroethoxy)acetamide
CID 103951564
N-[(3-ethylpiperidin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103206941

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide (CID 111112881) is N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide is CC(C)(C)C1CCC(O)(CNC(=O)COCC(F)(F)F)CC1.
What is the InChIKey of N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is MRVODWDLFSTGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3NO3/c1-13(2,3)11-4-6-14(21,7-5-11)9-19-12(20)8-22-10-15(16,17)18/h11,21H,4-10H2,1-3H3,(H,19,20).
What are the key properties of N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 325.37 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 111112881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).