2-(4-aminophenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide

C14H20N2O3 — CID 114464873

IUPAC2-(4-aminophenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
SMILESC=C(C)COCCNC(=O)COc1ccc(N)cc1
InChIInChI=1S/C14H20N2O3/c1-11(2)9-18-8-7-16-14(17)10-19-13-5-3-12(15)4-6-13/h3-6H,1,7-10,15H2,2H3,(H,16,17)
InChIKeyGIBQWYMYTOOTLX-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.36
Rot. Bonds8

About 2-(4-aminophenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide

2-(4-aminophenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide (PubChem CID 114464873) has the molecular formula C14H20N2O3 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-(4-aminophenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-aminophenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
PubChem CID114464873
Molecular FormulaC14H20N2O3
Molecular Weight264.33 g/mol
Exact Mass264.15
IUPAC Name2-(4-aminophenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
SMILESC=C(C)COCCNC(=O)COc1ccc(N)cc1
InChIInChI=1S/C14H20N2O3/c1-11(2)9-18-8-7-16-14(17)10-19-13-5-3-12(15)4-6-13/h3-6H,1,7-10,15H2,2H3,(H,16,17)
InChIKeyGIBQWYMYTOOTLX-UHFFFAOYSA-N
XLogP1.36
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[2-(2-methoxyethylamino)-2-oxoethyl] 2-(4-aminophenoxy)acetate
CID 61485546
2-(2,6-dimethylphenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
CID 115699812
N-[2-(4-aminophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 39384693
N-[2-(4-aminophenoxy)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112601847
3-[[2-(4-aminophenoxy)acetyl]amino]-N,N-dimethylpropanamide
CID 61103897
N-[2-[2-[2-[[2-[4-(hydroxymethyl)phenoxy]acetyl]amino]ethoxy]ethoxy]ethyl]-2-methylprop-2-enamide
CID 102232549
2-(4-aminophenoxy)-N-(2,2-dimethylpropyl)acetamide
CID 61168038
2-[[2-(4-aminophenoxy)acetyl]amino]acetamide
CID 61090712
2-(4-aminophenoxy)-N-[3-[methyl(propan-2-yl)amino]propyl]acetamide
CID 106033043
2-(2-methoxy-4-methylphenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
CID 115699567
N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 115700214
2-(4-aminophenoxy)-N-(propylcarbamoyl)acetamide
CID 54908666

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide?
The IUPAC name of 2-(4-aminophenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide (CID 114464873) is 2-(4-aminophenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide.
What is the SMILES notation for 2-(4-aminophenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide?
The canonical SMILES for 2-(4-aminophenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide is C=C(C)COCCNC(=O)COc1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide?
The InChIKey is GIBQWYMYTOOTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-11(2)9-18-8-7-16-14(17)10-19-13-5-3-12(15)4-6-13/h3-6H,1,7-10,15H2,2H3,(H,16,17).
What are the key properties of 2-(4-aminophenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide?
2-(4-aminophenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide has a molecular weight of 264.33 g/mol, XLogP of 1.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide is sourced from PubChem (CID 114464873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).