2-methyl-3-(methylamino)-N-[2-(4-methylphenyl)ethyl]-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride

C16H24ClF3N2O — CID 119805829

IUPAC2-methyl-3-(methylamino)-N-[2-(4-methylphenyl)ethyl]-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride
SMILESCNCC(C)C(=O)N(CCc1ccc(C)cc1)CC(F)(F)F.Cl
InChIInChI=1S/C16H23F3N2O.ClH/c1-12-4-6-14(7-5-12)8-9-21(11-16(17,18)19)15(22)13(2)10-20-3;/h4-7,13,20H,8-11H2,1-3H3;1H
InChIKeyCVZAFEKUGRLKAM-UHFFFAOYSA-N
MW352.83 g/mol
LogP3.21
Rot. Bonds7

About 2-methyl-3-(methylamino)-N-[2-(4-methylphenyl)ethyl]-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride

2-methyl-3-(methylamino)-N-[2-(4-methylphenyl)ethyl]-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride (PubChem CID 119805829) has the molecular formula C16H24ClF3N2O and a molecular weight of 352.83 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-[2-(4-methylphenyl)ethyl]-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-[2-(4-methylphenyl)ethyl]-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride
PubChem CID119805829
Molecular FormulaC16H24ClF3N2O
Molecular Weight352.83 g/mol
Exact Mass352.15
IUPAC Name2-methyl-3-(methylamino)-N-[2-(4-methylphenyl)ethyl]-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride
SMILESCNCC(C)C(=O)N(CCc1ccc(C)cc1)CC(F)(F)F.Cl
InChIInChI=1S/C16H23F3N2O.ClH/c1-12-4-6-14(7-5-12)8-9-21(11-16(17,18)19)15(22)13(2)10-20-3;/h4-7,13,20H,8-11H2,1-3H3;1H
InChIKeyCVZAFEKUGRLKAM-UHFFFAOYSA-N
XLogP3.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-aminophenyl)-N-[2-(4-methylphenyl)ethyl]-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride
CID 120611397
(2S)-N-cyclopropyl-2-methyl-3-(methylamino)-N-[(4-methylphenyl)methyl]propanamide
CID 97157102
N,2-dimethyl-3-(methylamino)-N-(2-pyridin-4-ylethyl)propanamide;dihydrochloride
CID 119958504
3-amino-N-[2-(4-methylphenyl)ethyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 119805832
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-methylphenyl)ethyl]-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride
CID 119805827
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-(methylamino)-N-(2-methylpropyl)propanamide
CID 119790269
N,2-dimethyl-3-(methylamino)-N-[1-(4-methylphenyl)butan-2-yl]propanamide
CID 119806881
N-[3-(4-methoxyphenyl)propyl]-N,2-dimethyl-3-(methylamino)propanamide
CID 119739239
2-amino-N-(2-hydroxyethyl)-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 106312218
2-methyl-3-(methylamino)-N-[3-(4-propan-2-ylphenyl)propyl]propanamide;hydrochloride
CID 119781866
N-butyl-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 78866721
2-methyl-3-(methylamino)-N,N-bis(3-methylbutyl)propanamide;hydrochloride
CID 119672602

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-[2-(4-methylphenyl)ethyl]-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride?
The IUPAC name of 2-methyl-3-(methylamino)-N-[2-(4-methylphenyl)ethyl]-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride (CID 119805829) is 2-methyl-3-(methylamino)-N-[2-(4-methylphenyl)ethyl]-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-[2-(4-methylphenyl)ethyl]-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride?
The canonical SMILES for 2-methyl-3-(methylamino)-N-[2-(4-methylphenyl)ethyl]-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride is CNCC(C)C(=O)N(CCc1ccc(C)cc1)CC(F)(F)F.Cl.
What is the InChIKey of 2-methyl-3-(methylamino)-N-[2-(4-methylphenyl)ethyl]-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride?
The InChIKey is CVZAFEKUGRLKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O.ClH/c1-12-4-6-14(7-5-12)8-9-21(11-16(17,18)19)15(22)13(2)10-20-3;/h4-7,13,20H,8-11H2,1-3H3;1H.
What are the key properties of 2-methyl-3-(methylamino)-N-[2-(4-methylphenyl)ethyl]-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride?
2-methyl-3-(methylamino)-N-[2-(4-methylphenyl)ethyl]-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride has a molecular weight of 352.83 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-[2-(4-methylphenyl)ethyl]-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride is sourced from PubChem (CID 119805829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).