2-[4-(2-aminopropyl)phenoxy]-N-prop-2-enylacetamide

C14H20N2O2 — CID 54930522

IUPAC2-[4-(2-aminopropyl)phenoxy]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1ccc(CC(C)N)cc1
InChIInChI=1S/C14H20N2O2/c1-3-8-16-14(17)10-18-13-6-4-12(5-7-13)9-11(2)15/h3-7,11H,1,8-10,15H2,2H3,(H,16,17)
InChIKeyDRZAUKMJVCIWIO-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.26
Rot. Bonds7

About 2-[4-(2-aminopropyl)phenoxy]-N-prop-2-enylacetamide

2-[4-(2-aminopropyl)phenoxy]-N-prop-2-enylacetamide (PubChem CID 54930522) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[4-(2-aminopropyl)phenoxy]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[4-(2-aminopropyl)phenoxy]-N-prop-2-enylacetamide
PubChem CID54930522
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-[4-(2-aminopropyl)phenoxy]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1ccc(CC(C)N)cc1
InChIInChI=1S/C14H20N2O2/c1-3-8-16-14(17)10-18-13-6-4-12(5-7-13)9-11(2)15/h3-7,11H,1,8-10,15H2,2H3,(H,16,17)
InChIKeyDRZAUKMJVCIWIO-UHFFFAOYSA-N
XLogP1.26
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.26
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-[4-[(1S)-1-aminoethyl]phenoxy]-N-prop-2-enylacetamide
CID 78932793
2-[3-[(1S)-1-aminoethyl]phenoxy]-N-prop-2-enylacetamide
CID 55190627
2-[4-(2-aminopropyl)phenoxy]-N-tert-butylacetamide
CID 54930613
2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-N-prop-2-enylacetamide
CID 107719071
2-[2-(2-aminopropyl)-6-methoxyphenoxy]-N-prop-2-enylacetamide
CID 60907625
2-[4-(1-hydroxypropyl)phenoxy]-N-prop-2-enylacetamide
CID 43504554
2-[2-(2-aminopropyl)-4-fluorophenoxy]-N-prop-2-enylacetamide
CID 107700877
2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-prop-2-enylacetamide
CID 126213719
2-(3-ethylphenoxy)-N-prop-2-enylacetamide
CID 19177242
2-(3-methoxyphenoxy)-N-prop-2-enylacetamide
CID 19204009
4-[2-oxo-2-(prop-2-enylamino)ethoxy]benzenesulfonyl chloride
CID 82915892
2-[(2-phenoxyacetyl)amino]-N-prop-2-enylacetamide
CID 2094904

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminopropyl)phenoxy]-N-prop-2-enylacetamide?
The IUPAC name of 2-[4-(2-aminopropyl)phenoxy]-N-prop-2-enylacetamide (CID 54930522) is 2-[4-(2-aminopropyl)phenoxy]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[4-(2-aminopropyl)phenoxy]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[4-(2-aminopropyl)phenoxy]-N-prop-2-enylacetamide is C=CCNC(=O)COc1ccc(CC(C)N)cc1.
What is the InChIKey of 2-[4-(2-aminopropyl)phenoxy]-N-prop-2-enylacetamide?
The InChIKey is DRZAUKMJVCIWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-8-16-14(17)10-18-13-6-4-12(5-7-13)9-11(2)15/h3-7,11H,1,8-10,15H2,2H3,(H,16,17).
What are the key properties of 2-[4-(2-aminopropyl)phenoxy]-N-prop-2-enylacetamide?
2-[4-(2-aminopropyl)phenoxy]-N-prop-2-enylacetamide has a molecular weight of 248.33 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminopropyl)phenoxy]-N-prop-2-enylacetamide is sourced from PubChem (CID 54930522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).