N-[(2R)-3-methyl-3-phenylbutan-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide

C15H20F3NO2 — CID 95308028

IUPACN-[(2R)-3-methyl-3-phenylbutan-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESC[C@@H](NC(=O)COCC(F)(F)F)C(C)(C)c1ccccc1
InChIInChI=1S/C15H20F3NO2/c1-11(14(2,3)12-7-5-4-6-8-12)19-13(20)9-21-10-15(16,17)18/h4-8,11H,9-10H2,1-3H3,(H,19,20)/t11-/m1/s1
InChIKeyNYPOFIKRBBPMIF-LLVKDONJSA-N
MW303.32 g/mol
LogP3.05
Rot. Bonds6

About N-[(2R)-3-methyl-3-phenylbutan-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide

N-[(2R)-3-methyl-3-phenylbutan-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 95308028) has the molecular formula C15H20F3NO2 and a molecular weight of 303.32 g/mol. Its IUPAC name is N-[(2R)-3-methyl-3-phenylbutan-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[(2R)-3-methyl-3-phenylbutan-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID95308028
Molecular FormulaC15H20F3NO2
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC NameN-[(2R)-3-methyl-3-phenylbutan-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESC[C@@H](NC(=O)COCC(F)(F)F)C(C)(C)c1ccccc1
InChIInChI=1S/C15H20F3NO2/c1-11(14(2,3)12-7-5-4-6-8-12)19-13(20)9-21-10-15(16,17)18/h4-8,11H,9-10H2,1-3H3,(H,19,20)/t11-/m1/s1
InChIKeyNYPOFIKRBBPMIF-LLVKDONJSA-N
XLogP3.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-3-methyl-3-phenylbutan-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 95308027
N-benzhydryl-2-(2,2,2-trifluoroethoxy)acetamide
CID 86915357
N-(1-chloro-2-phenylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212847
N-[(1S)-2-hydroxy-1-phenylethyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103945351
2-(cyclopropylmethylamino)-N-(3-methyl-3-phenylbutan-2-yl)acetamide;hydrochloride
CID 119765459
N-(1-amino-3-phenylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212909
4-(methylamino)-N-(3-methyl-3-phenylbutan-2-yl)butanamide;hydrochloride
CID 119765445
(3S)-N-[(2S)-3,3-dimethylbutan-2-yl]-4,4,4-trifluoro-3-hydroxy-3-phenylbutanamide
CID 97339946
N-[(2S)-3-methyl-3-phenylbutan-2-yl]-2-(6-methyl-3-pyridinyl)acetamide
CID 95294268
N-[1-(2H-tetrazol-5-yl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103209251
N-(4-chloro-3-methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212703
N-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 97053597

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-methyl-3-phenylbutan-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[(2R)-3-methyl-3-phenylbutan-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide (CID 95308028) is N-[(2R)-3-methyl-3-phenylbutan-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[(2R)-3-methyl-3-phenylbutan-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[(2R)-3-methyl-3-phenylbutan-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide is C[C@@H](NC(=O)COCC(F)(F)F)C(C)(C)c1ccccc1.
What is the InChIKey of N-[(2R)-3-methyl-3-phenylbutan-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is NYPOFIKRBBPMIF-LLVKDONJSA-N. The full InChI is InChI=1S/C15H20F3NO2/c1-11(14(2,3)12-7-5-4-6-8-12)19-13(20)9-21-10-15(16,17)18/h4-8,11H,9-10H2,1-3H3,(H,19,20)/t11-/m1/s1.
What are the key properties of N-[(2R)-3-methyl-3-phenylbutan-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide?
N-[(2R)-3-methyl-3-phenylbutan-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 303.32 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-methyl-3-phenylbutan-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 95308028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).