N-[(2S)-2-(diethylamino)-2-phenylethyl]-2-[3-(trifluoromethyl)phenyl]acetamide

C21H25F3N2O — CID 8798590

IUPACN-[(2S)-2-(diethylamino)-2-phenylethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCCN(CC)[C@H](CNC(=O)Cc1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C21H25F3N2O/c1-3-26(4-2)19(17-10-6-5-7-11-17)15-25-20(27)14-16-9-8-12-18(13-16)21(22,23)24/h5-13,19H,3-4,14-15H2,1-2H3,(H,25,27)/t19-/m1/s1
InChIKeyIMUWWCAKYFHVIQ-LJQANCHMSA-N
MW378.44 g/mol
LogP4.45
Rot. Bonds8

About N-[(2S)-2-(diethylamino)-2-phenylethyl]-2-[3-(trifluoromethyl)phenyl]acetamide

N-[(2S)-2-(diethylamino)-2-phenylethyl]-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 8798590) has the molecular formula C21H25F3N2O and a molecular weight of 378.44 g/mol. Its IUPAC name is N-[(2S)-2-(diethylamino)-2-phenylethyl]-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[(2S)-2-(diethylamino)-2-phenylethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID8798590
Molecular FormulaC21H25F3N2O
Molecular Weight378.44 g/mol
Exact Mass378.19
IUPAC NameN-[(2S)-2-(diethylamino)-2-phenylethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCCN(CC)[C@H](CNC(=O)Cc1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C21H25F3N2O/c1-3-26(4-2)19(17-10-6-5-7-11-17)15-25-20(27)14-16-9-8-12-18(13-16)21(22,23)24/h5-13,19H,3-4,14-15H2,1-2H3,(H,25,27)/t19-/m1/s1
InChIKeyIMUWWCAKYFHVIQ-LJQANCHMSA-N
XLogP4.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 34964617
N-[2-(diethylamino)-2-(4-methylphenyl)ethyl]-2-phenylacetamide
CID 112504225
[(1R)-1-(4-ethylphenyl)-2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]ethyl]-dimethylazanium
CID 8796456
N-[2-(diethylamino)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 78773980
3-(diethylamino)-3-[3-(trifluoromethyl)phenyl]propanoic acid
CID 64527201
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-(3-methylphenyl)acetamide
CID 41453338
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
N-[2-(ethylamino)-2-oxoethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 9224353
N-[2-oxo-2-[1-[3-(trifluoromethyl)phenyl]butylamino]ethyl]-2-phenylacetamide
CID 51134582
N-[2-(ethylamino)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119508394
2-[[2-(diethylamino)-2-phenylethyl]amino]-2-oxoacetic acid
CID 43444924
1-amino-1-phenyl-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 116551173

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(diethylamino)-2-phenylethyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[(2S)-2-(diethylamino)-2-phenylethyl]-2-[3-(trifluoromethyl)phenyl]acetamide (CID 8798590) is N-[(2S)-2-(diethylamino)-2-phenylethyl]-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[(2S)-2-(diethylamino)-2-phenylethyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[(2S)-2-(diethylamino)-2-phenylethyl]-2-[3-(trifluoromethyl)phenyl]acetamide is CCN(CC)[C@H](CNC(=O)Cc1cccc(C(F)(F)F)c1)c1ccccc1.
What is the InChIKey of N-[(2S)-2-(diethylamino)-2-phenylethyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is IMUWWCAKYFHVIQ-LJQANCHMSA-N. The full InChI is InChI=1S/C21H25F3N2O/c1-3-26(4-2)19(17-10-6-5-7-11-17)15-25-20(27)14-16-9-8-12-18(13-16)21(22,23)24/h5-13,19H,3-4,14-15H2,1-2H3,(H,25,27)/t19-/m1/s1.
What are the key properties of N-[(2S)-2-(diethylamino)-2-phenylethyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
N-[(2S)-2-(diethylamino)-2-phenylethyl]-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 378.44 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(diethylamino)-2-phenylethyl]-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 8798590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).