(2S)-2-amino-3,3-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]butanamide

C13H23F3N2O — CID 61178090

IUPAC(2S)-2-amino-3,3-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]butanamide
SMILESCC(C)(C)[C@H](N)C(=O)NC1CCCCC1C(F)(F)F
InChIInChI=1S/C13H23F3N2O/c1-12(2,3)10(17)11(19)18-9-7-5-4-6-8(9)13(14,15)16/h8-10H,4-7,17H2,1-3H3,(H,18,19)/t8?,9?,10-/m1/s1
InChIKeyHORUISBDBWVJRE-UDNWOFFPSA-N
MW280.33 g/mol
LogP2.60
Rot. Bonds2

About (2S)-2-amino-3,3-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]butanamide

(2S)-2-amino-3,3-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]butanamide (PubChem CID 61178090) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]butanamide
PubChem CID61178090
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name(2S)-2-amino-3,3-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]butanamide
SMILESCC(C)(C)[C@H](N)C(=O)NC1CCCCC1C(F)(F)F
InChIInChI=1S/C13H23F3N2O/c1-12(2,3)10(17)11(19)18-9-7-5-4-6-8(9)13(14,15)16/h8-10H,4-7,17H2,1-3H3,(H,18,19)/t8?,9?,10-/m1/s1
InChIKeyHORUISBDBWVJRE-UDNWOFFPSA-N
XLogP2.60
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(2-hydroxycyclohexyl)-3,3-dimethylbutanamide
CID 68925169
(2S)-2-amino-4-methyl-N-[2-(trifluoromethyl)cyclohexyl]pentanamide
CID 61177900
2-[(2-amino-3,3-dimethylbutanoyl)amino]cyclopentane-1-carboxylic acid
CID 77053196
(2S)-2-amino-4-methylsulfanyl-N-[2-(trifluoromethyl)cyclohexyl]butanamide
CID 61177899
4-amino-5-oxo-5-[[2-(trifluoromethyl)cyclohexyl]amino]pentanoic acid
CID 64895229
2-amino-N-(2-tert-butylcyclohexyl)-3-methylbutanamide
CID 43699363
2-amino-N-(2-methoxycyclopentyl)-3,3-dimethylbutanamide
CID 76934435
2-amino-N-(2-tert-butylcyclohexyl)propanamide;hydrochloride
CID 119285417
2-amino-3,3-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]butanamide
CID 76887112
(2S)-2-amino-N-cyclopropyl-3,3-dimethylbutanamide;hydrochloride
CID 66951838
(2R)-2-amino-N-(2,3-dimethylcyclopentyl)-3,3-dimethylbutanamide
CID 103930053
4-amino-3-methyl-N-[2-(trifluoromethyl)cyclohexyl]butanamide
CID 81076180

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]butanamide?
The IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]butanamide (CID 61178090) is (2S)-2-amino-3,3-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]butanamide.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]butanamide?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]butanamide is CC(C)(C)[C@H](N)C(=O)NC1CCCCC1C(F)(F)F.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]butanamide?
The InChIKey is HORUISBDBWVJRE-UDNWOFFPSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-12(2,3)10(17)11(19)18-9-7-5-4-6-8(9)13(14,15)16/h8-10H,4-7,17H2,1-3H3,(H,18,19)/t8?,9?,10-/m1/s1.
What are the key properties of (2S)-2-amino-3,3-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]butanamide?
(2S)-2-amino-3,3-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]butanamide has a molecular weight of 280.33 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]butanamide is sourced from PubChem (CID 61178090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).