3-[benzyl(propan-2-yl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide

C20H23F3N2O — CID 109031832

IUPAC3-[benzyl(propan-2-yl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESCC(C)N(CCC(=O)Nc1ccc(C(F)(F)F)cc1)Cc1ccccc1
InChIInChI=1S/C20H23F3N2O/c1-15(2)25(14-16-6-4-3-5-7-16)13-12-19(26)24-18-10-8-17(9-11-18)20(21,22)23/h3-11,15H,12-14H2,1-2H3,(H,24,26)
InChIKeySLASAGNLYXPEBF-UHFFFAOYSA-N
MW364.41 g/mol
LogP4.94
Rot. Bonds7

About 3-[benzyl(propan-2-yl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide

3-[benzyl(propan-2-yl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 109031832) has the molecular formula C20H23F3N2O and a molecular weight of 364.41 g/mol. Its IUPAC name is 3-[benzyl(propan-2-yl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[benzyl(propan-2-yl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID109031832
Molecular FormulaC20H23F3N2O
Molecular Weight364.41 g/mol
Exact Mass364.18
IUPAC Name3-[benzyl(propan-2-yl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESCC(C)N(CCC(=O)Nc1ccc(C(F)(F)F)cc1)Cc1ccccc1
InChIInChI=1S/C20H23F3N2O/c1-15(2)25(14-16-6-4-3-5-7-16)13-12-19(26)24-18-10-8-17(9-11-18)20(21,22)23/h3-11,15H,12-14H2,1-2H3,(H,24,26)
InChIKeySLASAGNLYXPEBF-UHFFFAOYSA-N
XLogP4.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetylphenyl)-3-[benzyl(propan-2-yl)amino]propanamide
CID 109031834
3-[benzyl(propan-2-yl)amino]-N-(3,4-difluorophenyl)propanamide
CID 109031875
3-[benzyl-(2-phenylacetyl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 42699567
3-[benzyl(propan-2-yl)amino]-N-(3-methylphenyl)propanamide
CID 109031789
3-[benzyl(propan-2-yl)amino]-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 59570710
3-[benzyl(propan-2-yl)amino]-N-(2,3-dimethylphenyl)propanamide
CID 109031799
3-(benzylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 42695490
3-(1-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 109020331
3-methyl-5-phenyl-N-[4-(trifluoromethyl)phenyl]pentanamide
CID 175774255
3-[3-methylbutyl(methylsulfonyl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 113141213
N-(5-amino-2-fluorophenyl)-3-[benzyl(propan-2-yl)amino]propanamide
CID 113220993
N-(4-acetamidophenyl)-3-[benzyl(methyl)amino]propanamide
CID 109020641

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(propan-2-yl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-[benzyl(propan-2-yl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide (CID 109031832) is 3-[benzyl(propan-2-yl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-[benzyl(propan-2-yl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-[benzyl(propan-2-yl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide is CC(C)N(CCC(=O)Nc1ccc(C(F)(F)F)cc1)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(propan-2-yl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is SLASAGNLYXPEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O/c1-15(2)25(14-16-6-4-3-5-7-16)13-12-19(26)24-18-10-8-17(9-11-18)20(21,22)23/h3-11,15H,12-14H2,1-2H3,(H,24,26).
What are the key properties of 3-[benzyl(propan-2-yl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide?
3-[benzyl(propan-2-yl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 364.41 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(propan-2-yl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 109031832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).