2-(3-aminophenoxy)-N-(prop-2-enylcarbamoyl)acetamide

C12H15N3O3 — CID 54908616

IUPAC2-(3-aminophenoxy)-N-(prop-2-enylcarbamoyl)acetamide
SMILESC=CCNC(=O)NC(=O)COc1cccc(N)c1
InChIInChI=1S/C12H15N3O3/c1-2-6-14-12(17)15-11(16)8-18-10-5-3-4-9(13)7-10/h2-5,7H,1,6,8,13H2,(H2,14,15,16,17)
InChIKeyLEBCMWOSYOTYMX-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.66
Rot. Bonds5

About 2-(3-aminophenoxy)-N-(prop-2-enylcarbamoyl)acetamide

2-(3-aminophenoxy)-N-(prop-2-enylcarbamoyl)acetamide (PubChem CID 54908616) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-(3-aminophenoxy)-N-(prop-2-enylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(3-aminophenoxy)-N-(prop-2-enylcarbamoyl)acetamide
PubChem CID54908616
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name2-(3-aminophenoxy)-N-(prop-2-enylcarbamoyl)acetamide
SMILESC=CCNC(=O)NC(=O)COc1cccc(N)c1
InChIInChI=1S/C12H15N3O3/c1-2-6-14-12(17)15-11(16)8-18-10-5-3-4-9(13)7-10/h2-5,7H,1,6,8,13H2,(H2,14,15,16,17)
InChIKeyLEBCMWOSYOTYMX-UHFFFAOYSA-N
XLogP0.66
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chlorophenoxy)-N-(prop-2-enylcarbamoyl)acetamide
CID 2707683
2-(3-aminophenoxy)-N-ethylacetamide
CID 16775097
2-(3-iodophenoxy)-N-prop-2-enylacetamide
CID 60626724
2-(3-methoxyphenoxy)-N-prop-2-enylacetamide
CID 19204009
2-(3-phenoxyphenoxy)-N-prop-2-enylacetamide
CID 2681751
N-[2-(3-aminophenoxy)acetyl]furan-2-carboxamide
CID 54909239
2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)oxy]-N-(prop-2-enylcarbamoyl)acetamide
CID 51106504
(2R)-2-(3-aminophenoxy)-N-prop-2-enylpropanamide
CID 93455625
2-(3-ethylphenoxy)-N-prop-2-enylacetamide
CID 19177242
2-[3-[(1S)-1-aminoethyl]phenoxy]-N-prop-2-enylacetamide
CID 55190627
2-(3-cyanophenoxy)-N-prop-2-enylacetamide
CID 24699881
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 3-iodobenzoate
CID 2628667

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenoxy)-N-(prop-2-enylcarbamoyl)acetamide?
The IUPAC name of 2-(3-aminophenoxy)-N-(prop-2-enylcarbamoyl)acetamide (CID 54908616) is 2-(3-aminophenoxy)-N-(prop-2-enylcarbamoyl)acetamide.
What is the SMILES notation for 2-(3-aminophenoxy)-N-(prop-2-enylcarbamoyl)acetamide?
The canonical SMILES for 2-(3-aminophenoxy)-N-(prop-2-enylcarbamoyl)acetamide is C=CCNC(=O)NC(=O)COc1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenoxy)-N-(prop-2-enylcarbamoyl)acetamide?
The InChIKey is LEBCMWOSYOTYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-2-6-14-12(17)15-11(16)8-18-10-5-3-4-9(13)7-10/h2-5,7H,1,6,8,13H2,(H2,14,15,16,17).
What are the key properties of 2-(3-aminophenoxy)-N-(prop-2-enylcarbamoyl)acetamide?
2-(3-aminophenoxy)-N-(prop-2-enylcarbamoyl)acetamide has a molecular weight of 249.27 g/mol, XLogP of 0.66, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenoxy)-N-(prop-2-enylcarbamoyl)acetamide is sourced from PubChem (CID 54908616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).