trans-(1R,5R)-5-methyl-2-propan-2-yl-N-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide

C18H24F3NO — CID 67477177

IUPACtrans-(1R,5R)-5-methyl-2-propan-2-yl-N-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
SMILESCC(C)C1CC[C@@H](C)C[C@H]1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H24F3NO/c1-11(2)15-9-4-12(3)10-16(15)17(23)22-14-7-5-13(6-8-14)18(19,20)21/h5-8,11-12,15-16H,4,9-10H2,1-3H3,(H,22,23)/t12-,15?,16-/m1/s1
InChIKeyNIBNTRLZIYKUIA-IATLWXBXSA-N
MW327.39 g/mol
LogP5.35
Rot. Bonds3

About trans-(1R,5R)-5-methyl-2-propan-2-yl-N-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide

trans-(1R,5R)-5-methyl-2-propan-2-yl-N-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide (PubChem CID 67477177) has the molecular formula C18H24F3NO and a molecular weight of 327.39 g/mol. Its IUPAC name is trans-(1R,5R)-5-methyl-2-propan-2-yl-N-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,5R)-5-methyl-2-propan-2-yl-N-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
PubChem CID67477177
Molecular FormulaC18H24F3NO
Molecular Weight327.39 g/mol
Exact Mass327.18
IUPAC Nametrans-(1R,5R)-5-methyl-2-propan-2-yl-N-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
SMILESCC(C)C1CC[C@@H](C)C[C@H]1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H24F3NO/c1-11(2)15-9-4-12(3)10-16(15)17(23)22-14-7-5-13(6-8-14)18(19,20)21/h5-8,11-12,15-16H,4,9-10H2,1-3H3,(H,22,23)/t12-,15?,16-/m1/s1
InChIKeyNIBNTRLZIYKUIA-IATLWXBXSA-N
XLogP5.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.39
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-acetylphenyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 21079948
(1R,2S,5S)-N-[4-(acetylsulfamoyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 51802099
N-[4-(4-amino-4-oxobutyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 53345814
1-N-propan-2-yl-2-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109130758
5-methyl-2-propan-2-yl-N-(4-pyrazol-1-ylphenyl)cyclohexane-1-carboxamide
CID 59861681
N-(3-chloro-4-methoxyphenyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 66761959
2-methyl-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 79383303
[4-(trifluoromethyl)phenyl] N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]carbamate
CID 46861663
5-methyl-N'-phenyl-2-propan-2-ylcyclohexane-1-carbohydrazide
CID 175475904
(1R,2S,5R)-5-methyl-N-(4-methyl-2-oxochromen-7-yl)-2-propan-2-ylcyclohexane-1-carboxamide
CID 87414752
N-[4-(trifluoromethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 47124816
(1R,2S,5R)-N-[4-(cyanomethyl)phenyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;2-(4-iodophenyl)acetonitrile;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexane-1-carbonyl chloride;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 159062804

Frequently Asked Questions

What is the IUPAC name of trans-(1R,5R)-5-methyl-2-propan-2-yl-N-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of trans-(1R,5R)-5-methyl-2-propan-2-yl-N-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide (CID 67477177) is trans-(1R,5R)-5-methyl-2-propan-2-yl-N-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for trans-(1R,5R)-5-methyl-2-propan-2-yl-N-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for trans-(1R,5R)-5-methyl-2-propan-2-yl-N-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide is CC(C)C1CC[C@@H](C)C[C@H]1C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of trans-(1R,5R)-5-methyl-2-propan-2-yl-N-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide?
The InChIKey is NIBNTRLZIYKUIA-IATLWXBXSA-N. The full InChI is InChI=1S/C18H24F3NO/c1-11(2)15-9-4-12(3)10-16(15)17(23)22-14-7-5-13(6-8-14)18(19,20)21/h5-8,11-12,15-16H,4,9-10H2,1-3H3,(H,22,23)/t12-,15?,16-/m1/s1.
What are the key properties of trans-(1R,5R)-5-methyl-2-propan-2-yl-N-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide?
trans-(1R,5R)-5-methyl-2-propan-2-yl-N-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 5.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,5R)-5-methyl-2-propan-2-yl-N-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 67477177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).