4-amino-N-[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]pentanamide;hydrochloride

C17H26ClF3N2O — CID 120562152

IUPAC4-amino-N-[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]pentanamide;hydrochloride
SMILESCC(N)CCC(=O)NC(c1cccc(C(F)(F)F)c1)C(C)(C)C.Cl
InChIInChI=1S/C17H25F3N2O.ClH/c1-11(21)8-9-14(23)22-15(16(2,3)4)12-6-5-7-13(10-12)17(18,19)20;/h5-7,10-11,15H,8-9,21H2,1-4H3,(H,22,23);1H
InChIKeyFGAGONYCOHOQBF-UHFFFAOYSA-N
MW366.86 g/mol
LogP4.46
Rot. Bonds5

About 4-amino-N-[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]pentanamide;hydrochloride

4-amino-N-[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]pentanamide;hydrochloride (PubChem CID 120562152) has the molecular formula C17H26ClF3N2O and a molecular weight of 366.86 g/mol. Its IUPAC name is 4-amino-N-[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]pentanamide;hydrochloride
PubChem CID120562152
Molecular FormulaC17H26ClF3N2O
Molecular Weight366.86 g/mol
Exact Mass366.17
IUPAC Name4-amino-N-[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]pentanamide;hydrochloride
SMILESCC(N)CCC(=O)NC(c1cccc(C(F)(F)F)c1)C(C)(C)C.Cl
InChIInChI=1S/C17H25F3N2O.ClH/c1-11(21)8-9-14(23)22-15(16(2,3)4)12-6-5-7-13(10-12)17(18,19)20;/h5-7,10-11,15H,8-9,21H2,1-4H3,(H,22,23);1H
InChIKeyFGAGONYCOHOQBF-UHFFFAOYSA-N
XLogP4.46
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.86
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-amino-N-[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]pentanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-[2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]pentanamide;hydrochloride
CID 120562077
(2S)-2-amino-N-[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]propanamide
CID 119316444
5-amino-N-(2,2-dimethyl-1-phenylpropyl)hexanamide
CID 82848318
(2S)-2-amino-3,3-dimethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 61180251
3-amino-N-[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]cyclopentane-1-carboxamide
CID 119771346
4-amino-3-[3-(trifluoromethyl)phenyl]pentanoic acid
CID 66099186
N-[1-[3-(trifluoromethyl)phenyl]ethyl]pentanamide
CID 78778424
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
3-(2-aminophenyl)-N-[2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]propanamide;hydrochloride
CID 120610313
(1R)-2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 170986461
(2S)-2-amino-N-[3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]propanamide;hydrochloride
CID 119315304

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]pentanamide;hydrochloride (CID 120562152) is 4-amino-N-[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]pentanamide;hydrochloride is CC(N)CCC(=O)NC(c1cccc(C(F)(F)F)c1)C(C)(C)C.Cl.
What is the InChIKey of 4-amino-N-[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]pentanamide;hydrochloride?
The InChIKey is FGAGONYCOHOQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N2O.ClH/c1-11(21)8-9-14(23)22-15(16(2,3)4)12-6-5-7-13(10-12)17(18,19)20;/h5-7,10-11,15H,8-9,21H2,1-4H3,(H,22,23);1H.
What are the key properties of 4-amino-N-[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]pentanamide;hydrochloride?
4-amino-N-[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]pentanamide;hydrochloride has a molecular weight of 366.86 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]pentanamide;hydrochloride is sourced from PubChem (CID 120562152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).