2-(methylamino)-N-[3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]acetamide;hydrochloride

C15H22ClF3N2O — CID 119769325

IUPAC2-(methylamino)-N-[3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]acetamide;hydrochloride
SMILESCNCC(=O)NC(CC(C)C)c1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C15H21F3N2O.ClH/c1-10(2)7-13(20-14(21)9-19-3)11-5-4-6-12(8-11)15(16,17)18;/h4-6,8,10,13,19H,7,9H2,1-3H3,(H,20,21);1H
InChIKeyVOVZVDVWHXMUCS-UHFFFAOYSA-N
MW338.80 g/mol
LogP3.55
Rot. Bonds6

About 2-(methylamino)-N-[3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]acetamide;hydrochloride

2-(methylamino)-N-[3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]acetamide;hydrochloride (PubChem CID 119769325) has the molecular formula C15H22ClF3N2O and a molecular weight of 338.80 g/mol. Its IUPAC name is 2-(methylamino)-N-[3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(methylamino)-N-[3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]acetamide;hydrochloride
PubChem CID119769325
Molecular FormulaC15H22ClF3N2O
Molecular Weight338.80 g/mol
Exact Mass338.14
IUPAC Name2-(methylamino)-N-[3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]acetamide;hydrochloride
SMILESCNCC(=O)NC(CC(C)C)c1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C15H21F3N2O.ClH/c1-10(2)7-13(20-14(21)9-19-3)11-5-4-6-12(8-11)15(16,17)18;/h4-6,8,10,13,19H,7,9H2,1-3H3,(H,20,21);1H
InChIKeyVOVZVDVWHXMUCS-UHFFFAOYSA-N
XLogP3.55
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]propanamide;hydrochloride
CID 119315304
4-amino-3-methoxy-N-[3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]butanamide
CID 120591392
3-amino-N-[3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]cyclopentane-1-carboxamide;hydrochloride
CID 119769323
3-methyl-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 60819147
N-ethyl-2-(methylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride
CID 119794790
1-methyl-4-(methylsulfamoyl)-N-[(1S)-3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]pyrrole-2-carboxamide
CID 52521355
2-(propan-2-ylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 60683177
(2S,5R)-5-(aminomethyl)-N-[3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]oxolane-2-carboxamide
CID 120791690
3-[3-[3-(trifluoromethyl)phenyl]butanoylamino]butanoic acid
CID 119221372
3-amino-3-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide;hydrochloride
CID 119948966
(2S)-2-amino-N-[1-[3-(trifluoromethyl)phenyl]butyl]propanamide;hydrochloride
CID 119315290
N-[(2S)-2-acetamido-2-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 124589498

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]acetamide;hydrochloride?
The IUPAC name of 2-(methylamino)-N-[3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]acetamide;hydrochloride (CID 119769325) is 2-(methylamino)-N-[3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(methylamino)-N-[3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]acetamide;hydrochloride?
The canonical SMILES for 2-(methylamino)-N-[3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]acetamide;hydrochloride is CNCC(=O)NC(CC(C)C)c1cccc(C(F)(F)F)c1.Cl.
What is the InChIKey of 2-(methylamino)-N-[3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]acetamide;hydrochloride?
The InChIKey is VOVZVDVWHXMUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O.ClH/c1-10(2)7-13(20-14(21)9-19-3)11-5-4-6-12(8-11)15(16,17)18;/h4-6,8,10,13,19H,7,9H2,1-3H3,(H,20,21);1H.
What are the key properties of 2-(methylamino)-N-[3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]acetamide;hydrochloride?
2-(methylamino)-N-[3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]acetamide;hydrochloride has a molecular weight of 338.80 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]acetamide;hydrochloride is sourced from PubChem (CID 119769325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).