N-[(R)-[(1R,2R)-2-butylcyclopropyl]-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethylpropanamide

C20H28F3NO — CID 3247417

IUPACN-[(R)-[(1R,2R)-2-butylcyclopropyl]-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethylpropanamide
SMILESCCCC[C@@H]1C[C@H]1[C@@H](NC(=O)C(C)(C)C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H28F3NO/c1-5-6-7-14-12-16(14)17(24-18(25)19(2,3)4)13-8-10-15(11-9-13)20(21,22)23/h8-11,14,16-17H,5-7,12H2,1-4H3,(H,24,25)/t14-,16-,17+/m1/s1
InChIKeyUGSIHQWHWXZYPP-OIISXLGYSA-N
MW355.44 g/mol
LogP5.74
Rot. Bonds6

About N-[(R)-[(1R,2R)-2-butylcyclopropyl]-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethylpropanamide

N-[(R)-[(1R,2R)-2-butylcyclopropyl]-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethylpropanamide (PubChem CID 3247417) has the molecular formula C20H28F3NO and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[(R)-[(1R,2R)-2-butylcyclopropyl]-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(R)-[(1R,2R)-2-butylcyclopropyl]-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethylpropanamide
PubChem CID3247417
Molecular FormulaC20H28F3NO
Molecular Weight355.44 g/mol
Exact Mass355.21
IUPAC NameN-[(R)-[(1R,2R)-2-butylcyclopropyl]-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethylpropanamide
SMILESCCCC[C@@H]1C[C@H]1[C@@H](NC(=O)C(C)(C)C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H28F3NO/c1-5-6-7-14-12-16(14)17(24-18(25)19(2,3)4)13-8-10-15(11-9-13)20(21,22)23/h8-11,14,16-17H,5-7,12H2,1-4H3,(H,24,25)/t14-,16-,17+/m1/s1
InChIKeyUGSIHQWHWXZYPP-OIISXLGYSA-N
XLogP5.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

methyl 4-[(R)-[(1R,2R)-2-butylcyclopropyl]-[[4-(trifluoromethyl)benzoyl]amino]methyl]benzoate
CID 3247418
N-[[(1S,2R)-2-butylcyclopropyl]-[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 22525611
N-[(R)-[(1R,2R)-2-butylcyclopropyl]-(4-chlorophenyl)methyl]-2-phenylacetamide
CID 3247434
2,2-dimethyl-N-[3-phenyl-1-[4-(trifluoromethyl)phenyl]propyl]propanamide
CID 102200140
1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-[(2-methylcyclopropyl)-phenylmethyl]urea
CID 166200761
2,2,3,3-tetrafluoro-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 103732673
4-[(1S)-1-(2,2-dimethylpropanoylamino)butyl]-N-hydroxybenzamide
CID 90417363
N-[(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]acetamide
CID 135133777
2-amino-2-cyclopropyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 60866125
2,2,2-trifluoro-N-[(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]acetamide
CID 122703321
1-[(1R)-1-ethylsulfonylethyl]-4-(trifluoromethyl)benzene
CID 95322532
2-[4-(trifluoromethyl)phenyl]pentanoic acid
CID 68887185

Frequently Asked Questions

What is the IUPAC name of N-[(R)-[(1R,2R)-2-butylcyclopropyl]-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(R)-[(1R,2R)-2-butylcyclopropyl]-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethylpropanamide (CID 3247417) is N-[(R)-[(1R,2R)-2-butylcyclopropyl]-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(R)-[(1R,2R)-2-butylcyclopropyl]-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(R)-[(1R,2R)-2-butylcyclopropyl]-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethylpropanamide is CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)C(C)(C)C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(R)-[(1R,2R)-2-butylcyclopropyl]-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethylpropanamide?
The InChIKey is UGSIHQWHWXZYPP-OIISXLGYSA-N. The full InChI is InChI=1S/C20H28F3NO/c1-5-6-7-14-12-16(14)17(24-18(25)19(2,3)4)13-8-10-15(11-9-13)20(21,22)23/h8-11,14,16-17H,5-7,12H2,1-4H3,(H,24,25)/t14-,16-,17+/m1/s1.
What are the key properties of N-[(R)-[(1R,2R)-2-butylcyclopropyl]-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethylpropanamide?
N-[(R)-[(1R,2R)-2-butylcyclopropyl]-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethylpropanamide has a molecular weight of 355.44 g/mol, XLogP of 5.74, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-[(1R,2R)-2-butylcyclopropyl]-[4-(trifluoromethyl)phenyl]methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 3247417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).