3-(4-aminophenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide

C15H18N2O3S — CID 106434358

IUPAC3-(4-aminophenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
SMILESNc1ccc(OCCC(=O)NCC(O)c2ccsc2)cc1
InChIInChI=1S/C15H18N2O3S/c16-12-1-3-13(4-2-12)20-7-5-15(19)17-9-14(18)11-6-8-21-10-11/h1-4,6,8,10,14,18H,5,7,9,16H2,(H,17,19)
InChIKeyRMSRIIZJVZLARP-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.95
Rot. Bonds7

About 3-(4-aminophenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide

3-(4-aminophenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide (PubChem CID 106434358) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 3-(4-aminophenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide.

Molecular Properties

Compound Name3-(4-aminophenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
PubChem CID106434358
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name3-(4-aminophenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
SMILESNc1ccc(OCCC(=O)NCC(O)c2ccsc2)cc1
InChIInChI=1S/C15H18N2O3S/c16-12-1-3-13(4-2-12)20-7-5-15(19)17-9-14(18)11-6-8-21-10-11/h1-4,6,8,10,14,18H,5,7,9,16H2,(H,17,19)
InChIKeyRMSRIIZJVZLARP-UHFFFAOYSA-N
XLogP1.95
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

2-(4-aminophenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 106434312
N-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-methylphenoxy)propanamide
CID 103771719
3-bromo-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
CID 106434930
3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
CID 106434922
3-(4-aminophenoxy)-N-(2-hydroxybutyl)propanamide
CID 113491836
methyl 3-[3-(4-aminophenoxy)propanoylamino]-2-hydroxypropanoate
CID 107211638
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)acetamide
CID 103812170
3-(4-aminophenoxy)-N-(4-hydroxy-2-methylbutyl)propanamide
CID 66089630
3-(4-aminophenoxy)-N-(3-hydroxybutyl)propanamide
CID 64929581
2-ethoxy-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 103771707
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 111441664
6-acetamido-N-(2-hydroxy-2-thiophen-3-ylethyl)hexanamide
CID 103771643

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide?
The IUPAC name of 3-(4-aminophenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide (CID 106434358) is 3-(4-aminophenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide.
What is the SMILES notation for 3-(4-aminophenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide?
The canonical SMILES for 3-(4-aminophenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide is Nc1ccc(OCCC(=O)NCC(O)c2ccsc2)cc1.
What is the InChIKey of 3-(4-aminophenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide?
The InChIKey is RMSRIIZJVZLARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c16-12-1-3-13(4-2-12)20-7-5-15(19)17-9-14(18)11-6-8-21-10-11/h1-4,6,8,10,14,18H,5,7,9,16H2,(H,17,19).
What are the key properties of 3-(4-aminophenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide?
3-(4-aminophenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide has a molecular weight of 306.39 g/mol, XLogP of 1.95, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide is sourced from PubChem (CID 106434358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).