N-[2-(dimethylamino)-2-phenylethyl]-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide

C21H26F3N3O — CID 112800287

IUPACN-[2-(dimethylamino)-2-phenylethyl]-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide
SMILESCN(CC(=O)NCC(c1ccccc1)N(C)C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H26F3N3O/c1-26(2)19(17-7-5-4-6-8-17)13-25-20(28)15-27(3)14-16-9-11-18(12-10-16)21(22,23)24/h4-12,19H,13-15H2,1-3H3,(H,25,28)
InChIKeyWEYYTRISEFYATQ-UHFFFAOYSA-N
MW393.45 g/mol
LogP3.56
Rot. Bonds8

About N-[2-(dimethylamino)-2-phenylethyl]-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide

N-[2-(dimethylamino)-2-phenylethyl]-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide (PubChem CID 112800287) has the molecular formula C21H26F3N3O and a molecular weight of 393.45 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-phenylethyl]-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-phenylethyl]-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide
PubChem CID112800287
Molecular FormulaC21H26F3N3O
Molecular Weight393.45 g/mol
Exact Mass393.20
IUPAC NameN-[2-(dimethylamino)-2-phenylethyl]-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide
SMILESCN(CC(=O)NCC(c1ccccc1)N(C)C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H26F3N3O/c1-26(2)19(17-7-5-4-6-8-17)13-25-20(28)15-27(3)14-16-9-11-18(12-10-16)21(22,23)24/h4-12,19H,13-15H2,1-3H3,(H,25,28)
InChIKeyWEYYTRISEFYATQ-UHFFFAOYSA-N
XLogP3.56
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chlorophenyl)methyl-methylamino]-N-[2-(dimethylamino)-2-phenylethyl]acetamide
CID 112800289
N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 34972442
N-(benzylcarbamoyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 27242893
N-(2-acetylphenyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 9221698
2-[(4-fluorophenyl)methyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 9251999
N-[2-[(2R)-butan-2-yl]phenyl]-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 9221610
2-(4-chlorophenyl)-N-[2-(dimethylamino)-2-phenylethyl]acetamide
CID 4675953
2-[benzyl(methyl)amino]-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]acetamide
CID 94806000
2-[benzyl(methyl)amino]-N-(1-phenylethyl)acetamide
CID 18078396
N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 34964617
2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-N-(prop-2-enylcarbamoyl)acetamide
CID 27242913
4-tert-butyl-N-[2-(dimethylamino)-2-phenylethyl]benzamide
CID 45001444

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide?
The IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide (CID 112800287) is N-[2-(dimethylamino)-2-phenylethyl]-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-phenylethyl]-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide?
The canonical SMILES for N-[2-(dimethylamino)-2-phenylethyl]-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide is CN(CC(=O)NCC(c1ccccc1)N(C)C)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-phenylethyl]-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide?
The InChIKey is WEYYTRISEFYATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F3N3O/c1-26(2)19(17-7-5-4-6-8-17)13-25-20(28)15-27(3)14-16-9-11-18(12-10-16)21(22,23)24/h4-12,19H,13-15H2,1-3H3,(H,25,28).
What are the key properties of N-[2-(dimethylamino)-2-phenylethyl]-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide?
N-[2-(dimethylamino)-2-phenylethyl]-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide has a molecular weight of 393.45 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-phenylethyl]-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide is sourced from PubChem (CID 112800287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).