2-[4-(2-aminoethyl)phenoxy]-N-prop-2-enylpropanamide

C14H20N2O2 — CID 54931120

IUPAC2-[4-(2-aminoethyl)phenoxy]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)Oc1ccc(CCN)cc1
InChIInChI=1S/C14H20N2O2/c1-3-10-16-14(17)11(2)18-13-6-4-12(5-7-13)8-9-15/h3-7,11H,1,8-10,15H2,2H3,(H,16,17)
InChIKeyDLEKGZWNHFRZLG-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.26
Rot. Bonds7

About 2-[4-(2-aminoethyl)phenoxy]-N-prop-2-enylpropanamide

2-[4-(2-aminoethyl)phenoxy]-N-prop-2-enylpropanamide (PubChem CID 54931120) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)phenoxy]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)phenoxy]-N-prop-2-enylpropanamide
PubChem CID54931120
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-[4-(2-aminoethyl)phenoxy]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)Oc1ccc(CCN)cc1
InChIInChI=1S/C14H20N2O2/c1-3-10-16-14(17)11(2)18-13-6-4-12(5-7-13)8-9-15/h3-7,11H,1,8-10,15H2,2H3,(H,16,17)
InChIKeyDLEKGZWNHFRZLG-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'}

Analyze 2-[4-(2-aminoethyl)phenoxy]-N-prop-2-enylpropanamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(4-iodophenoxy)-N-prop-2-enylpropanamide
CID 60675232
2-[4-(2-aminoethyl)-2-bromophenoxy]-N-prop-2-enylpropanamide
CID 63051492
2-[2-(2-aminoethyl)-5-methoxyphenoxy]-N-prop-2-enylpropanamide
CID 61267293
2-naphthalen-2-yloxy-N-prop-2-enylpropanamide
CID 12873693
(2R)-2-(3-aminophenoxy)-N-prop-2-enylpropanamide
CID 93455625
2-[4-[1-(methylamino)propyl]phenoxy]-N-prop-2-enylpropanamide
CID 60889157
(2S)-2-(3,5-dimethylphenoxy)-N-prop-2-enylpropanamide
CID 40742748
2-[3-(1-aminoethyl)phenoxy]-N-prop-2-enylpropanamide
CID 60878639
2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-N-prop-2-enylpropanamide
CID 107716763
2-(2-hydroxyphenoxy)-N-prop-2-enylpropanamide
CID 43143434
2-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-N-prop-2-enylpropanamide
CID 79794355
2-[4-(aminomethyl)-2-ethoxyphenoxy]-N-prop-2-enylpropanamide
CID 60878105

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)phenoxy]-N-prop-2-enylpropanamide?
The IUPAC name of 2-[4-(2-aminoethyl)phenoxy]-N-prop-2-enylpropanamide (CID 54931120) is 2-[4-(2-aminoethyl)phenoxy]-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-[4-(2-aminoethyl)phenoxy]-N-prop-2-enylpropanamide?
The canonical SMILES for 2-[4-(2-aminoethyl)phenoxy]-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)Oc1ccc(CCN)cc1.
What is the InChIKey of 2-[4-(2-aminoethyl)phenoxy]-N-prop-2-enylpropanamide?
The InChIKey is DLEKGZWNHFRZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-10-16-14(17)11(2)18-13-6-4-12(5-7-13)8-9-15/h3-7,11H,1,8-10,15H2,2H3,(H,16,17).
What are the key properties of 2-[4-(2-aminoethyl)phenoxy]-N-prop-2-enylpropanamide?
2-[4-(2-aminoethyl)phenoxy]-N-prop-2-enylpropanamide 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-aminoethyl)phenoxy]-N-prop-2-enylpropanamide is sourced from PubChem (CID 54931120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).