2-[4-(aminomethyl)-2-ethoxyphenoxy]-N-prop-2-enylpropanamide

C15H22N2O3 — CID 60878105

IUPAC2-[4-(aminomethyl)-2-ethoxyphenoxy]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)Oc1ccc(CN)cc1OCC
InChIInChI=1S/C15H22N2O3/c1-4-8-17-15(18)11(3)20-13-7-6-12(10-16)9-14(13)19-5-2/h4,6-7,9,11H,1,5,8,10,16H2,2-3H3,(H,17,18)
InChIKeyNEIOMQZUOHCLGP-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.61
Rot. Bonds8

About 2-[4-(aminomethyl)-2-ethoxyphenoxy]-N-prop-2-enylpropanamide

2-[4-(aminomethyl)-2-ethoxyphenoxy]-N-prop-2-enylpropanamide (PubChem CID 60878105) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-2-ethoxyphenoxy]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)-2-ethoxyphenoxy]-N-prop-2-enylpropanamide
PubChem CID60878105
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[4-(aminomethyl)-2-ethoxyphenoxy]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)Oc1ccc(CN)cc1OCC
InChIInChI=1S/C15H22N2O3/c1-4-8-17-15(18)11(3)20-13-7-6-12(10-16)9-14(13)19-5-2/h4,6-7,9,11H,1,5,8,10,16H2,2-3H3,(H,17,18)
InChIKeyNEIOMQZUOHCLGP-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
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-[4-(aminomethyl)-2-ethoxyphenoxy]-N,N-dimethylpropanamide
CID 43122479
2-[4-(2-aminoethyl)-2-bromophenoxy]-N-prop-2-enylpropanamide
CID 63051492
2-[2-ethoxy-4-(hydroxymethyl)phenoxy]-N-(2-methylpropyl)propanamide
CID 43117629
2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-propan-2-ylpropanamide
CID 60906218
2-[4-(2-aminoethyl)phenoxy]-N-prop-2-enylpropanamide
CID 54931120
2-[4-(aminomethyl)-2-methoxyphenoxy]-N-prop-2-ynylpropanamide
CID 60878492
N-[(3,4-diethoxyphenyl)methyl]-2-(2-ethylphenoxy)propanamide
CID 43907670
2-(2-hydroxyphenoxy)-N-prop-2-enylpropanamide
CID 43143434
[(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 3,4,5-triethoxybenzoate
CID 51907878
2-(4-chloro-2-formylphenoxy)-N-prop-2-enylpropanamide
CID 43324815
2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-prop-2-enylpropanamide
CID 43267929
2-(4-fluoro-2-sulfamoylphenoxy)-N-prop-2-enylpropanamide
CID 82915467

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-2-ethoxyphenoxy]-N-prop-2-enylpropanamide?
The IUPAC name of 2-[4-(aminomethyl)-2-ethoxyphenoxy]-N-prop-2-enylpropanamide (CID 60878105) is 2-[4-(aminomethyl)-2-ethoxyphenoxy]-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-[4-(aminomethyl)-2-ethoxyphenoxy]-N-prop-2-enylpropanamide?
The canonical SMILES for 2-[4-(aminomethyl)-2-ethoxyphenoxy]-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)Oc1ccc(CN)cc1OCC.
What is the InChIKey of 2-[4-(aminomethyl)-2-ethoxyphenoxy]-N-prop-2-enylpropanamide?
The InChIKey is NEIOMQZUOHCLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-8-17-15(18)11(3)20-13-7-6-12(10-16)9-14(13)19-5-2/h4,6-7,9,11H,1,5,8,10,16H2,2-3H3,(H,17,18).
What are the key properties of 2-[4-(aminomethyl)-2-ethoxyphenoxy]-N-prop-2-enylpropanamide?
2-[4-(aminomethyl)-2-ethoxyphenoxy]-N-prop-2-enylpropanamide has a molecular weight of 278.35 g/mol, XLogP of 1.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-2-ethoxyphenoxy]-N-prop-2-enylpropanamide is sourced from PubChem (CID 60878105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).