(2S)-2-amino-N-[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]propanamide

C15H21F3N2O — CID 119316444

IUPAC(2S)-2-amino-N-[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]propanamide
SMILESC[C@H](N)C(=O)NC(c1cccc(C(F)(F)F)c1)C(C)(C)C
InChIInChI=1S/C15H21F3N2O/c1-9(19)13(21)20-12(14(2,3)4)10-6-5-7-11(8-10)15(16,17)18/h5-9,12H,19H2,1-4H3,(H,20,21)/t9-,12?/m0/s1
InChIKeyGSHSALHMCRSUTB-QHGLUPRGSA-N
MW302.34 g/mol
LogP3.26
Rot. Bonds3

About (2S)-2-amino-N-[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]propanamide

(2S)-2-amino-N-[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]propanamide (PubChem CID 119316444) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is (2S)-2-amino-N-[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]propanamide
PubChem CID119316444
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name(2S)-2-amino-N-[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]propanamide
SMILESC[C@H](N)C(=O)NC(c1cccc(C(F)(F)F)c1)C(C)(C)C
InChIInChI=1S/C15H21F3N2O/c1-9(19)13(21)20-12(14(2,3)4)10-6-5-7-11(8-10)15(16,17)18/h5-9,12H,19H2,1-4H3,(H,20,21)/t9-,12?/m0/s1
InChIKeyGSHSALHMCRSUTB-QHGLUPRGSA-N
XLogP3.26
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-amino-N-[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]propanamide 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-[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]pentanamide;hydrochloride
CID 120562152
(2S)-2-amino-3,3-dimethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 61180251
(2S)-2-amino-N-[3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]propanamide;hydrochloride
CID 119315304
(2S)-2-amino-N-[1-[3-(trifluoromethyl)phenyl]butyl]propanamide;hydrochloride
CID 119315290
(2S)-2-amino-N-(2,2-dimethyl-1-phenylpropyl)propanamide;hydrochloride
CID 119290104
3-amino-N-[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]cyclopentane-1-carboxamide
CID 119771346
1-[(1S)-2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]-3-pyridin-2-ylurea
CID 52521709
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585
(1R)-2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 170986461
4-amino-3-[3-(trifluoromethyl)phenyl]pentanoic acid
CID 66099186
2-amino-2-(4-methylphenyl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride
CID 120666705
4-amino-N-[2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]pentanamide;hydrochloride
CID 120562077

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]propanamide (CID 119316444) is (2S)-2-amino-N-[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]propanamide is C[C@H](N)C(=O)NC(c1cccc(C(F)(F)F)c1)C(C)(C)C.
What is the InChIKey of (2S)-2-amino-N-[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]propanamide?
The InChIKey is GSHSALHMCRSUTB-QHGLUPRGSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-9(19)13(21)20-12(14(2,3)4)10-6-5-7-11(8-10)15(16,17)18/h5-9,12H,19H2,1-4H3,(H,20,21)/t9-,12?/m0/s1.
What are the key properties of (2S)-2-amino-N-[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]propanamide?
(2S)-2-amino-N-[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]propanamide has a molecular weight of 302.34 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]propanamide is sourced from PubChem (CID 119316444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).