3-(4-aminophenoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide

C13H17F3N2O3 — CID 61115959

IUPAC3-(4-aminophenoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESNc1ccc(OCCC(=O)N(CCO)CC(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O3/c14-13(15,16)9-18(6-7-19)12(20)5-8-21-11-3-1-10(17)2-4-11/h1-4,19H,5-9,17H2
InChIKeyHDGYFBYVYNNINH-UHFFFAOYSA-N
MW306.28 g/mol
LogP1.42
Rot. Bonds7

About 3-(4-aminophenoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide

3-(4-aminophenoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 61115959) has the molecular formula C13H17F3N2O3 and a molecular weight of 306.28 g/mol. Its IUPAC name is 3-(4-aminophenoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name3-(4-aminophenoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID61115959
Molecular FormulaC13H17F3N2O3
Molecular Weight306.28 g/mol
Exact Mass306.12
IUPAC Name3-(4-aminophenoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESNc1ccc(OCCC(=O)N(CCO)CC(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O3/c14-13(15,16)9-18(6-7-19)12(20)5-8-21-11-3-1-10(17)2-4-11/h1-4,19H,5-9,17H2
InChIKeyHDGYFBYVYNNINH-UHFFFAOYSA-N
XLogP1.42
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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CID 4883
Bucetin
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Practolol, (S)-
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H-244/45
CID 551868
Acetamide, N-(4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)-N-methyl-
CID 42378
Maleimide, N-(5-(p-aminophenoxy)pentyl)-
CID 58133
Succinimide, N-(5-(p-aminophenoxy)pentyl)-
CID 3063702
2-(4-amino-3-fluorophenoxy)-N,N-dimethylacetamide
CID 50988941
N-[2-(4-aminophenoxy)ethyl]acetamide
CID 309969
3-(diethylamino)-N-(4-ethoxyphenyl)propanamide
CID 4228978
3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 1286284
3-morpholin-4-yl-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 4022519

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 3-(4-aminophenoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide (CID 61115959) is 3-(4-aminophenoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 3-(4-aminophenoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 3-(4-aminophenoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide is Nc1ccc(OCCC(=O)N(CCO)CC(F)(F)F)cc1.
What is the InChIKey of 3-(4-aminophenoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is HDGYFBYVYNNINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O3/c14-13(15,16)9-18(6-7-19)12(20)5-8-21-11-3-1-10(17)2-4-11/h1-4,19H,5-9,17H2.
What are the key properties of 3-(4-aminophenoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide?
3-(4-aminophenoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 306.28 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenoxy)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 61115959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).