2-amino-N-(2-hydroxyethyl)-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide

C13H17F3N2O2 — CID 106312218

IUPAC2-amino-N-(2-hydroxyethyl)-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1ccc(C(N)C(=O)N(CCO)CC(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O2/c1-9-2-4-10(5-3-9)11(17)12(20)18(6-7-19)8-13(14,15)16/h2-5,11,19H,6-8,17H2,1H3
InChIKeyNFBMMRKWSKLUKI-UHFFFAOYSA-N
MW290.28 g/mol
LogP1.38
Rot. Bonds5

About 2-amino-N-(2-hydroxyethyl)-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide

2-amino-N-(2-hydroxyethyl)-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 106312218) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.28 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxyethyl)-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxyethyl)-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID106312218
Molecular FormulaC13H17F3N2O2
Molecular Weight290.28 g/mol
Exact Mass290.12
IUPAC Name2-amino-N-(2-hydroxyethyl)-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1ccc(C(N)C(=O)N(CCO)CC(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O2/c1-9-2-4-10(5-3-9)11(17)12(20)18(6-7-19)8-13(14,15)16/h2-5,11,19H,6-8,17H2,1H3
InChIKeyNFBMMRKWSKLUKI-UHFFFAOYSA-N
XLogP1.38
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2-hydroxyethyl)-3-phenylpropanamide
CID 11842359
(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(2-hydroxyethyl)propanamide
CID 44334180
(2S)-2-[2-(dimethylamino)ethylamino]-2-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 44413126
N1-(2-(dimethylamino)-2-(p-tolyl)ethyl)-N2-(2,2,2-trifluoroethyl)oxalamide
CID 49747712
2-(4-Fluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 56807280
N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 56813180
2-(dimethylamino)-N-{2-[4-(hydroxymethyl)-1-piperidinyl]ethyl}-2-(4-methylphenyl)acetamide
CID 72882001
2-[3,5-bis(trifluoromethyl)phenyl]-N-[(1S)-2-[2-(2-hydroxyethylamino)ethylamino]-2-oxo-1-phenylethyl]-2-methylpropanamide
CID 73212363
(4R,8R)-N-(2-methoxyethyl)-1-methyl-2-oxo-8-[[4-(trifluoromethyl)phenyl]methylamino]azonane-4-carboxamide
CID 75411827
(2S)-2-[(2-methoxyacetyl)amino]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 44607147
2-amino-N-methyl-2-phenyl-N-propan-2-ylacetamide
CID 24708270
2-(2-oxopyrrolidin-1-yl)-N-pentyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 134847813

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxyethyl)-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-amino-N-(2-hydroxyethyl)-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 106312218) is 2-amino-N-(2-hydroxyethyl)-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-amino-N-(2-hydroxyethyl)-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-amino-N-(2-hydroxyethyl)-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide is Cc1ccc(C(N)C(=O)N(CCO)CC(F)(F)F)cc1.
What is the InChIKey of 2-amino-N-(2-hydroxyethyl)-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is NFBMMRKWSKLUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c1-9-2-4-10(5-3-9)11(17)12(20)18(6-7-19)8-13(14,15)16/h2-5,11,19H,6-8,17H2,1H3.
What are the key properties of 2-amino-N-(2-hydroxyethyl)-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide?
2-amino-N-(2-hydroxyethyl)-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 290.28 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-hydroxyethyl)-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 106312218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).