3-[[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]-methylamino]-N-methylpropanamide

C14H17F3N2O3 — CID 95193542

IUPAC3-[[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)C(=O)[C@H](O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H17F3N2O3/c1-18-11(20)7-8-19(2)13(22)12(21)9-3-5-10(6-4-9)14(15,16)17/h3-6,12,21H,7-8H2,1-2H3,(H,18,20)/t12-/m1/s1
InChIKeyWXMKHOOPDSVKDB-GFCCVEGCSA-N
MW318.30 g/mol
LogP1.33
Rot. Bonds5

About 3-[[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]-methylamino]-N-methylpropanamide

3-[[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]-methylamino]-N-methylpropanamide (PubChem CID 95193542) has the molecular formula C14H17F3N2O3 and a molecular weight of 318.30 g/mol. Its IUPAC name is 3-[[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]-methylamino]-N-methylpropanamide
PubChem CID95193542
Molecular FormulaC14H17F3N2O3
Molecular Weight318.30 g/mol
Exact Mass318.12
IUPAC Name3-[[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)C(=O)[C@H](O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H17F3N2O3/c1-18-11(20)7-8-19(2)13(22)12(21)9-3-5-10(6-4-9)14(15,16)17/h3-6,12,21H,7-8H2,1-2H3,(H,18,20)/t12-/m1/s1
InChIKeyWXMKHOOPDSVKDB-GFCCVEGCSA-N
XLogP1.33
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-hydroxy-2-phenylacetyl)-methylamino]propanoic acid
CID 60989999
N-methyl-3-[4-(trifluoromethyl)anilino]propanamide
CID 62326575
N-[(3R)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-N-methylacetamide
CID 130473847
3-[[2,2-difluoro-2-(4-fluorophenyl)ethyl]-methylamino]-N-methylpropanamide
CID 136560720
3-[[(2R)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]-methylamino]-N-methylpropanamide
CID 97278889
(2S)-N-[2-(dimethylsulfamoyl)ethyl]-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetamide
CID 95202519
2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl chloride
CID 57421218
2-(methylamino)-2-[4-(trifluoromethyl)phenyl]acetic acid
CID 43753723
2,3-dimethyl-4-[methyl-[3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoic acid
CID 106914932
(2R)-2-(methylamino)-2-[4-(trifluoromethyl)phenyl]acetic acid
CID 93280035
N-methyl-3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]butanamide
CID 50970573
2-(methylamino)-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]acetamide
CID 120705289

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]-methylamino]-N-methylpropanamide?
The IUPAC name of 3-[[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]-methylamino]-N-methylpropanamide (CID 95193542) is 3-[[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]-methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]-methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]-methylamino]-N-methylpropanamide is CNC(=O)CCN(C)C(=O)[C@H](O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-[[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]-methylamino]-N-methylpropanamide?
The InChIKey is WXMKHOOPDSVKDB-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H17F3N2O3/c1-18-11(20)7-8-19(2)13(22)12(21)9-3-5-10(6-4-9)14(15,16)17/h3-6,12,21H,7-8H2,1-2H3,(H,18,20)/t12-/m1/s1.
What are the key properties of 3-[[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]-methylamino]-N-methylpropanamide?
3-[[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]-methylamino]-N-methylpropanamide has a molecular weight of 318.30 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetyl]-methylamino]-N-methylpropanamide is sourced from PubChem (CID 95193542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).