3-(2-aminophenoxy)-N-(2-prop-2-enylsulfanylethyl)propanamide

C14H20N2O2S — CID 106425082

IUPAC3-(2-aminophenoxy)-N-(2-prop-2-enylsulfanylethyl)propanamide
SMILESC=CCSCCNC(=O)CCOc1ccccc1N
InChIInChI=1S/C14H20N2O2S/c1-2-10-19-11-8-16-14(17)7-9-18-13-6-4-3-5-12(13)15/h2-6H,1,7-11,15H2,(H,16,17)
InChIKeySAYPWOZHJJHWRE-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.07
Rot. Bonds9

About 3-(2-aminophenoxy)-N-(2-prop-2-enylsulfanylethyl)propanamide

3-(2-aminophenoxy)-N-(2-prop-2-enylsulfanylethyl)propanamide (PubChem CID 106425082) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 3-(2-aminophenoxy)-N-(2-prop-2-enylsulfanylethyl)propanamide.

Molecular Properties

Compound Name3-(2-aminophenoxy)-N-(2-prop-2-enylsulfanylethyl)propanamide
PubChem CID106425082
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name3-(2-aminophenoxy)-N-(2-prop-2-enylsulfanylethyl)propanamide
SMILESC=CCSCCNC(=O)CCOc1ccccc1N
InChIInChI=1S/C14H20N2O2S/c1-2-10-19-11-8-16-14(17)7-9-18-13-6-4-3-5-12(13)15/h2-6H,1,7-11,15H2,(H,16,17)
InChIKeySAYPWOZHJJHWRE-UHFFFAOYSA-N
XLogP2.07
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-(2-aminophenoxy)-N-(2-prop-2-enylsulfanylethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenoxy)-N-(2-prop-2-enylsulfanylethyl)propanamide?
The IUPAC name of 3-(2-aminophenoxy)-N-(2-prop-2-enylsulfanylethyl)propanamide (CID 106425082) is 3-(2-aminophenoxy)-N-(2-prop-2-enylsulfanylethyl)propanamide.
What is the SMILES notation for 3-(2-aminophenoxy)-N-(2-prop-2-enylsulfanylethyl)propanamide?
The canonical SMILES for 3-(2-aminophenoxy)-N-(2-prop-2-enylsulfanylethyl)propanamide is C=CCSCCNC(=O)CCOc1ccccc1N.
What is the InChIKey of 3-(2-aminophenoxy)-N-(2-prop-2-enylsulfanylethyl)propanamide?
The InChIKey is SAYPWOZHJJHWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-2-10-19-11-8-16-14(17)7-9-18-13-6-4-3-5-12(13)15/h2-6H,1,7-11,15H2,(H,16,17).
What are the key properties of 3-(2-aminophenoxy)-N-(2-prop-2-enylsulfanylethyl)propanamide?
3-(2-aminophenoxy)-N-(2-prop-2-enylsulfanylethyl)propanamide has a molecular weight of 280.39 g/mol, XLogP of 2.07, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenoxy)-N-(2-prop-2-enylsulfanylethyl)propanamide is sourced from PubChem (CID 106425082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).