2-[2-(2-aminoethyl)-5-methoxyphenoxy]-N-prop-2-enylpropanamide

C15H22N2O3 — CID 61267293

IUPAC2-[2-(2-aminoethyl)-5-methoxyphenoxy]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)Oc1cc(OC)ccc1CCN
InChIInChI=1S/C15H22N2O3/c1-4-9-17-15(18)11(2)20-14-10-13(19-3)6-5-12(14)7-8-16/h4-6,10-11H,1,7-9,16H2,2-3H3,(H,17,18)
InChIKeyGUNKQTVDBMQVPX-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.27
Rot. Bonds8

About 2-[2-(2-aminoethyl)-5-methoxyphenoxy]-N-prop-2-enylpropanamide

2-[2-(2-aminoethyl)-5-methoxyphenoxy]-N-prop-2-enylpropanamide (PubChem CID 61267293) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[2-(2-aminoethyl)-5-methoxyphenoxy]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-[2-(2-aminoethyl)-5-methoxyphenoxy]-N-prop-2-enylpropanamide
PubChem CID61267293
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[2-(2-aminoethyl)-5-methoxyphenoxy]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)Oc1cc(OC)ccc1CCN
InChIInChI=1S/C15H22N2O3/c1-4-9-17-15(18)11(2)20-14-10-13(19-3)6-5-12(14)7-8-16/h4-6,10-11H,1,7-9,16H2,2-3H3,(H,17,18)
InChIKeyGUNKQTVDBMQVPX-UHFFFAOYSA-N
XLogP1.27
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-prop-2-enylpropanamide
CID 43267929
2-[2-(2-aminoethyl)-5-methoxyphenoxy]propanoic acid
CID 55134399
2-[2-(2-aminoethyl)-5-methoxyphenoxy]propanamide
CID 61268752
2-[4-(2-aminoethyl)phenoxy]-N-prop-2-enylpropanamide
CID 54931120
2-[2-(aminomethyl)-5-methoxyphenoxy]-N-ethylpropanamide
CID 61269246
2-[4-(2-aminoethyl)-2-bromophenoxy]-N-prop-2-enylpropanamide
CID 63051492
2-(2-hydroxyphenoxy)-N-prop-2-enylpropanamide
CID 43143434
2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-(3-methylbutyl)propanamide
CID 61267766
2-[5-methoxy-2-(methylaminomethyl)phenoxy]-N-(2-methylpropyl)propanamide
CID 61270005
2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-prop-2-enylpropanamide
CID 60881074
2-[2-(hydroxymethyl)-5-methoxyphenoxy]-N-pentylpropanamide
CID 61267387
2-[2-(2-aminoethyl)-4-methoxyphenoxy]propanamide
CID 54931370

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethyl)-5-methoxyphenoxy]-N-prop-2-enylpropanamide?
The IUPAC name of 2-[2-(2-aminoethyl)-5-methoxyphenoxy]-N-prop-2-enylpropanamide (CID 61267293) is 2-[2-(2-aminoethyl)-5-methoxyphenoxy]-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-[2-(2-aminoethyl)-5-methoxyphenoxy]-N-prop-2-enylpropanamide?
The canonical SMILES for 2-[2-(2-aminoethyl)-5-methoxyphenoxy]-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)Oc1cc(OC)ccc1CCN.
What is the InChIKey of 2-[2-(2-aminoethyl)-5-methoxyphenoxy]-N-prop-2-enylpropanamide?
The InChIKey is GUNKQTVDBMQVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-9-17-15(18)11(2)20-14-10-13(19-3)6-5-12(14)7-8-16/h4-6,10-11H,1,7-9,16H2,2-3H3,(H,17,18).
What are the key properties of 2-[2-(2-aminoethyl)-5-methoxyphenoxy]-N-prop-2-enylpropanamide?
2-[2-(2-aminoethyl)-5-methoxyphenoxy]-N-prop-2-enylpropanamide has a molecular weight of 278.35 g/mol, XLogP of 1.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethyl)-5-methoxyphenoxy]-N-prop-2-enylpropanamide is sourced from PubChem (CID 61267293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).