2-methyl-N-[[3-(trifluoromethyl)cyclohexyl]methyl]propanamide

C12H20F3NO — CID 67953222

IUPAC2-methyl-N-[[3-(trifluoromethyl)cyclohexyl]methyl]propanamide
SMILESCC(C)C(=O)NCC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H20F3NO/c1-8(2)11(17)16-7-9-4-3-5-10(6-9)12(13,14)15/h8-10H,3-7H2,1-2H3,(H,16,17)
InChIKeyIZISMNIIOPNICF-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.13
Rot. Bonds3

About 2-methyl-N-[[3-(trifluoromethyl)cyclohexyl]methyl]propanamide

2-methyl-N-[[3-(trifluoromethyl)cyclohexyl]methyl]propanamide (PubChem CID 67953222) has the molecular formula C12H20F3NO and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-methyl-N-[[3-(trifluoromethyl)cyclohexyl]methyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[[3-(trifluoromethyl)cyclohexyl]methyl]propanamide
PubChem CID67953222
Molecular FormulaC12H20F3NO
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC Name2-methyl-N-[[3-(trifluoromethyl)cyclohexyl]methyl]propanamide
SMILESCC(C)C(=O)NCC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H20F3NO/c1-8(2)11(17)16-7-9-4-3-5-10(6-9)12(13,14)15/h8-10H,3-7H2,1-2H3,(H,16,17)
InChIKeyIZISMNIIOPNICF-UHFFFAOYSA-N
XLogP3.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-3-methoxy-N-[[3-(trifluoromethyl)cyclohexyl]methyl]propanamide;hydrochloride
CID 120992063
N-(cyclopentylmethyl)-2-methylpropanamide
CID 58333395
N-(cyclopentylmethyl)-2-methylpropanamide;ethane
CID 176960669
2-methyl-N-[2-[[4-(trifluoromethyl)cyclohexyl]amino]ethyl]propanamide
CID 64755259
(2S)-2-methyl-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]butanamide
CID 100835824
N-(cyclobutylmethyl)-2-methyl-3-(methylamino)propanamide
CID 79196076
2-(4-chlorophenyl)sulfonyl-2-methyl-N-[[3-(trifluoromethyl)cyclohexyl]methyl]propanamide
CID 53328937
2-bromo-N-[(3-hydroxycyclohexyl)methyl]propanamide
CID 106128023
2-methyl-N-[(3-oxocyclohexyl)methyl]propanamide
CID 158210571
2-methyl-N-(thian-4-ylmethyl)propanamide
CID 115625101
2-tert-butyl-N-(cyclobutylmethyl)-3,3-dimethylbutanamide
CID 146286386
4-[[[3-(trifluoromethyl)cyclohexyl]methylamino]methyl]benzoic acid
CID 122031828

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-(trifluoromethyl)cyclohexyl]methyl]propanamide?
The IUPAC name of 2-methyl-N-[[3-(trifluoromethyl)cyclohexyl]methyl]propanamide (CID 67953222) is 2-methyl-N-[[3-(trifluoromethyl)cyclohexyl]methyl]propanamide.
What is the SMILES notation for 2-methyl-N-[[3-(trifluoromethyl)cyclohexyl]methyl]propanamide?
The canonical SMILES for 2-methyl-N-[[3-(trifluoromethyl)cyclohexyl]methyl]propanamide is CC(C)C(=O)NCC1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-methyl-N-[[3-(trifluoromethyl)cyclohexyl]methyl]propanamide?
The InChIKey is IZISMNIIOPNICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO/c1-8(2)11(17)16-7-9-4-3-5-10(6-9)12(13,14)15/h8-10H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 2-methyl-N-[[3-(trifluoromethyl)cyclohexyl]methyl]propanamide?
2-methyl-N-[[3-(trifluoromethyl)cyclohexyl]methyl]propanamide has a molecular weight of 251.29 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-(trifluoromethyl)cyclohexyl]methyl]propanamide is sourced from PubChem (CID 67953222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).