(2S)-2-amino-3-phenyl-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride

C20H24ClF3N2O2 — CID 119315068

IUPAC(2S)-2-amino-3-phenyl-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride
SMILESCC(C)Oc1ccc(CNC(=O)[C@@H](N)Cc2ccccc2)c(C(F)(F)F)c1.Cl
InChIInChI=1S/C20H23F3N2O2.ClH/c1-13(2)27-16-9-8-15(17(11-16)20(21,22)23)12-25-19(26)18(24)10-14-6-4-3-5-7-14;/h3-9,11,13,18H,10,12,24H2,1-2H3,(H,25,26);1H/t18-;/m0./s1
InChIKeyDJHRWYYMFDQTKA-FERBBOLQSA-N
MW416.87 g/mol
LogP4.10
Rot. Bonds7

About (2S)-2-amino-3-phenyl-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride

(2S)-2-amino-3-phenyl-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride (PubChem CID 119315068) has the molecular formula C20H24ClF3N2O2 and a molecular weight of 416.87 g/mol. Its IUPAC name is (2S)-2-amino-3-phenyl-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3-phenyl-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride
PubChem CID119315068
Molecular FormulaC20H24ClF3N2O2
Molecular Weight416.87 g/mol
Exact Mass416.15
IUPAC Name(2S)-2-amino-3-phenyl-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride
SMILESCC(C)Oc1ccc(CNC(=O)[C@@H](N)Cc2ccccc2)c(C(F)(F)F)c1.Cl
InChIInChI=1S/C20H23F3N2O2.ClH/c1-13(2)27-16-9-8-15(17(11-16)20(21,22)23)12-25-19(26)18(24)10-14-6-4-3-5-7-14;/h3-9,11,13,18H,10,12,24H2,1-2H3,(H,25,26);1H/t18-;/m0./s1
InChIKeyDJHRWYYMFDQTKA-FERBBOLQSA-N
XLogP4.10
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.87
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-methoxy-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]propanamide
CID 120988650
2-amino-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]pentanamide
CID 119315081
3-amino-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]butanamide;hydrochloride
CID 119768894
(2S)-2-amino-4-methylsulfanyl-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]butanamide
CID 119315071
(2S)-2-amino-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride
CID 119313991
1-amino-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119315076
1,2-dimethyl-3-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]guanidine
CID 75493865
2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride
CID 119835445
(2S)-2-amino-3-phenyl-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]propanamide;hydrochloride
CID 119288372
2-amino-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 62879781
2-amino-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide
CID 24706399
4-[[(2-amino-3-phenylpropanoyl)amino]methyl]-5-methylfuran-2-carboxylic acid
CID 5049229

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-phenyl-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-3-phenyl-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride (CID 119315068) is (2S)-2-amino-3-phenyl-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-3-phenyl-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-3-phenyl-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride is CC(C)Oc1ccc(CNC(=O)[C@@H](N)Cc2ccccc2)c(C(F)(F)F)c1.Cl.
What is the InChIKey of (2S)-2-amino-3-phenyl-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride?
The InChIKey is DJHRWYYMFDQTKA-FERBBOLQSA-N. The full InChI is InChI=1S/C20H23F3N2O2.ClH/c1-13(2)27-16-9-8-15(17(11-16)20(21,22)23)12-25-19(26)18(24)10-14-6-4-3-5-7-14;/h3-9,11,13,18H,10,12,24H2,1-2H3,(H,25,26);1H/t18-;/m0./s1.
What are the key properties of (2S)-2-amino-3-phenyl-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride?
(2S)-2-amino-3-phenyl-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride has a molecular weight of 416.87 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-phenyl-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 119315068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).