2-[4-[(1S)-1-aminoethyl]phenoxy]-N-prop-2-enylacetamide

C13H18N2O2 — CID 78932793

IUPAC2-[4-[(1S)-1-aminoethyl]phenoxy]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1ccc([C@H](C)N)cc1
InChIInChI=1S/C13H18N2O2/c1-3-8-15-13(16)9-17-12-6-4-11(5-7-12)10(2)14/h3-7,10H,1,8-9,14H2,2H3,(H,15,16)/t10-/m0/s1
InChIKeyWKJMENWHLSKZRS-JTQLQIEISA-N
MW234.30 g/mol
LogP1.39
Rot. Bonds6

About 2-[4-[(1S)-1-aminoethyl]phenoxy]-N-prop-2-enylacetamide

2-[4-[(1S)-1-aminoethyl]phenoxy]-N-prop-2-enylacetamide (PubChem CID 78932793) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[4-[(1S)-1-aminoethyl]phenoxy]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[4-[(1S)-1-aminoethyl]phenoxy]-N-prop-2-enylacetamide
PubChem CID78932793
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-[4-[(1S)-1-aminoethyl]phenoxy]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1ccc([C@H](C)N)cc1
InChIInChI=1S/C13H18N2O2/c1-3-8-15-13(16)9-17-12-6-4-11(5-7-12)10(2)14/h3-7,10H,1,8-9,14H2,2H3,(H,15,16)/t10-/m0/s1
InChIKeyWKJMENWHLSKZRS-JTQLQIEISA-N
XLogP1.39
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[(1S)-1-aminoethyl]phenoxy]-N-prop-2-enylacetamide
CID 55190627
2-[4-(2-aminopropyl)phenoxy]-N-prop-2-enylacetamide
CID 54930522
2-[4-(1-hydroxypropyl)phenoxy]-N-prop-2-enylacetamide
CID 43504554
2-[4-(1-aminoethyl)phenoxy]-N-(2-methylpropyl)acetamide
CID 16794372
2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-N-prop-2-enylacetamide
CID 107719071
2-[4-[(1R)-1-aminoethyl]phenoxy]-N-(2-cyanoethyl)acetamide
CID 78933215
2-[4-[(1R)-1-aminoethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 63367621
4-(4-propan-2-ylphenoxy)-N-prop-2-enylbutanamide
CID 19207254
2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-prop-2-enylacetamide
CID 126213719
(1R)-1-(4-prop-2-enoxyphenyl)ethanamine
CID 63367601
4-[2-oxo-2-(prop-2-enylamino)ethoxy]benzenesulfonyl chloride
CID 82915892
2-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]-N-prop-2-enylacetamide
CID 55188483

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1S)-1-aminoethyl]phenoxy]-N-prop-2-enylacetamide?
The IUPAC name of 2-[4-[(1S)-1-aminoethyl]phenoxy]-N-prop-2-enylacetamide (CID 78932793) is 2-[4-[(1S)-1-aminoethyl]phenoxy]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[4-[(1S)-1-aminoethyl]phenoxy]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[4-[(1S)-1-aminoethyl]phenoxy]-N-prop-2-enylacetamide is C=CCNC(=O)COc1ccc([C@H](C)N)cc1.
What is the InChIKey of 2-[4-[(1S)-1-aminoethyl]phenoxy]-N-prop-2-enylacetamide?
The InChIKey is WKJMENWHLSKZRS-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18N2O2/c1-3-8-15-13(16)9-17-12-6-4-11(5-7-12)10(2)14/h3-7,10H,1,8-9,14H2,2H3,(H,15,16)/t10-/m0/s1.
What are the key properties of 2-[4-[(1S)-1-aminoethyl]phenoxy]-N-prop-2-enylacetamide?
2-[4-[(1S)-1-aminoethyl]phenoxy]-N-prop-2-enylacetamide has a molecular weight of 234.30 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1S)-1-aminoethyl]phenoxy]-N-prop-2-enylacetamide is sourced from PubChem (CID 78932793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).