3-amino-N-butyl-2-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride

C16H24ClF3N2O — CID 119733462

IUPAC3-amino-N-butyl-2-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride
SMILESCCCCN(CC(F)(F)F)C(=O)C(C)C(N)c1ccccc1.Cl
InChIInChI=1S/C16H23F3N2O.ClH/c1-3-4-10-21(11-16(17,18)19)15(22)12(2)14(20)13-8-6-5-7-9-13;/h5-9,12,14H,3-4,10-11,20H2,1-2H3;1H
InChIKeyDKFMUERZTOONIL-UHFFFAOYSA-N
MW352.83 g/mol
LogP3.94
Rot. Bonds7

About 3-amino-N-butyl-2-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride

3-amino-N-butyl-2-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride (PubChem CID 119733462) has the molecular formula C16H24ClF3N2O and a molecular weight of 352.83 g/mol. Its IUPAC name is 3-amino-N-butyl-2-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-butyl-2-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride
PubChem CID119733462
Molecular FormulaC16H24ClF3N2O
Molecular Weight352.83 g/mol
Exact Mass352.15
IUPAC Name3-amino-N-butyl-2-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride
SMILESCCCCN(CC(F)(F)F)C(=O)C(C)C(N)c1ccccc1.Cl
InChIInChI=1S/C16H23F3N2O.ClH/c1-3-4-10-21(11-16(17,18)19)15(22)12(2)14(20)13-8-6-5-7-9-13;/h5-9,12,14H,3-4,10-11,20H2,1-2H3;1H
InChIKeyDKFMUERZTOONIL-UHFFFAOYSA-N
XLogP3.94
TPSA46.33 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 ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-butyl-2-phenyl-N-(2,2,2-trifluoroethyl)acetamide
CID 61164511
3-amino-N-ethyl-2-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide
CID 80552219
4-[butyl(2,2,2-trifluoroethyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497733
(2S)-2-amino-N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 61164133
(2S)-2-amino-N-butyl-N-(2,2,2-trifluoroethyl)butanamide
CID 79024297
3-amino-2-methyl-N,N-bis(2-methylpropyl)-3-phenylpropanamide;hydrochloride
CID 119669067
3-amino-N-ethyl-N-(2-hydroxyethyl)-2-methyl-3-phenylpropanamide
CID 80552105
(2S)-2-amino-3-phenyl-N-propyl-N-(2,2,2-trifluoroethyl)propanamide
CID 61164512
N-(2-hydroxyethyl)-2-phenyl-N-(2,2,2-trifluoroethyl)butanamide
CID 107358308
2-amino-N-butyl-N-(2-hydroxyethyl)-2-phenylacetamide
CID 54870866
3-amino-2-methyl-N-[2-oxo-2-(propylamino)ethyl]-3-phenyl-N-propylpropanamide
CID 119741246
ethyl (2R,3S)-3-amino-2-methyl-3-phenylpropanoate
CID 142202479

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-butyl-2-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride?
The IUPAC name of 3-amino-N-butyl-2-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride (CID 119733462) is 3-amino-N-butyl-2-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-butyl-2-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-butyl-2-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride is CCCCN(CC(F)(F)F)C(=O)C(C)C(N)c1ccccc1.Cl.
What is the InChIKey of 3-amino-N-butyl-2-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride?
The InChIKey is DKFMUERZTOONIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O.ClH/c1-3-4-10-21(11-16(17,18)19)15(22)12(2)14(20)13-8-6-5-7-9-13;/h5-9,12,14H,3-4,10-11,20H2,1-2H3;1H.
What are the key properties of 3-amino-N-butyl-2-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride?
3-amino-N-butyl-2-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride has a molecular weight of 352.83 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-butyl-2-methyl-3-phenyl-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride is sourced from PubChem (CID 119733462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).