2,2-dimethyl-N-[3-phenyl-1-[4-(trifluoromethyl)phenyl]propyl]propanamide

C21H24F3NO — CID 102200140

IUPAC2,2-dimethyl-N-[3-phenyl-1-[4-(trifluoromethyl)phenyl]propyl]propanamide
SMILESCC(C)(C)C(=O)NC(CCc1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H24F3NO/c1-20(2,3)19(26)25-18(14-9-15-7-5-4-6-8-15)16-10-12-17(13-11-16)21(22,23)24/h4-8,10-13,18H,9,14H2,1-3H3,(H,25,26)
InChIKeyJOSZUBWUNAGEIL-UHFFFAOYSA-N
MW363.42 g/mol
LogP5.54
Rot. Bonds5

About 2,2-dimethyl-N-[3-phenyl-1-[4-(trifluoromethyl)phenyl]propyl]propanamide

2,2-dimethyl-N-[3-phenyl-1-[4-(trifluoromethyl)phenyl]propyl]propanamide (PubChem CID 102200140) has the molecular formula C21H24F3NO and a molecular weight of 363.42 g/mol. Its IUPAC name is 2,2-dimethyl-N-[3-phenyl-1-[4-(trifluoromethyl)phenyl]propyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[3-phenyl-1-[4-(trifluoromethyl)phenyl]propyl]propanamide
PubChem CID102200140
Molecular FormulaC21H24F3NO
Molecular Weight363.42 g/mol
Exact Mass363.18
IUPAC Name2,2-dimethyl-N-[3-phenyl-1-[4-(trifluoromethyl)phenyl]propyl]propanamide
SMILESCC(C)(C)C(=O)NC(CCc1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H24F3NO/c1-20(2,3)19(26)25-18(14-9-15-7-5-4-6-8-15)16-10-12-17(13-11-16)21(22,23)24/h4-8,10-13,18H,9,14H2,1-3H3,(H,25,26)
InChIKeyJOSZUBWUNAGEIL-UHFFFAOYSA-N
XLogP5.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.42
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethyl-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 51374320
N-[(1S)-1,2-diphenylethyl]-2,2-dimethylpropanamide
CID 41097241
(2S)-2-(2,2-dimethylpropanoylamino)-4-phenylbutanoic acid
CID 104983118
(2R)-2-[[(1R)-1-(4-chlorophenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-N-methyl-2-phenylacetamide
CID 68766674
N-[(1S)-1,3-diphenylpropyl]propanamide
CID 138984444
2,2,2-trifluoro-N-(4-phenylbutan-2-yl)acetamide
CID 4564814
N-(1,3-diphenylpropyl)-2-methylcyclopropane-1-carboxamide
CID 56796182
[(2S)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl] 4-(trifluoromethyl)benzoate
CID 7859898
3-methyl-5-phenyl-N-[4-(trifluoromethyl)phenyl]pentanamide
CID 175774255
(2R)-2-[[1-(3,4-dimethoxyphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]amino]-2-phenylacetic acid
CID 59553641
(1S)-2-N-methyl-1-N-[3-(4-methylphenyl)-1-[4-(trifluoromethyl)phenyl]propyl]-1-phenylprop-2-ene-1,2-diamine
CID 145469237
(1R)-2-N-methyl-1-N-[(1S)-1-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]propyl]-1-phenylprop-2-ene-1,2-diamine
CID 70291437

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[3-phenyl-1-[4-(trifluoromethyl)phenyl]propyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[3-phenyl-1-[4-(trifluoromethyl)phenyl]propyl]propanamide (CID 102200140) is 2,2-dimethyl-N-[3-phenyl-1-[4-(trifluoromethyl)phenyl]propyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[3-phenyl-1-[4-(trifluoromethyl)phenyl]propyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[3-phenyl-1-[4-(trifluoromethyl)phenyl]propyl]propanamide is CC(C)(C)C(=O)NC(CCc1ccccc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2,2-dimethyl-N-[3-phenyl-1-[4-(trifluoromethyl)phenyl]propyl]propanamide?
The InChIKey is JOSZUBWUNAGEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3NO/c1-20(2,3)19(26)25-18(14-9-15-7-5-4-6-8-15)16-10-12-17(13-11-16)21(22,23)24/h4-8,10-13,18H,9,14H2,1-3H3,(H,25,26).
What are the key properties of 2,2-dimethyl-N-[3-phenyl-1-[4-(trifluoromethyl)phenyl]propyl]propanamide?
2,2-dimethyl-N-[3-phenyl-1-[4-(trifluoromethyl)phenyl]propyl]propanamide has a molecular weight of 363.42 g/mol, XLogP of 5.54, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[3-phenyl-1-[4-(trifluoromethyl)phenyl]propyl]propanamide is sourced from PubChem (CID 102200140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).