2-[(2-phenoxyacetyl)amino]-N-prop-2-enylacetamide

C13H16N2O3 — CID 2094904

IUPAC2-[(2-phenoxyacetyl)amino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CNC(=O)COc1ccccc1
InChIInChI=1S/C13H16N2O3/c1-2-8-14-12(16)9-15-13(17)10-18-11-6-4-3-5-7-11/h2-7H,1,8-10H2,(H,14,16)(H,15,17)
InChIKeyFILSDTZBNNRDSW-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.48
Rot. Bonds7

About 2-[(2-phenoxyacetyl)amino]-N-prop-2-enylacetamide

2-[(2-phenoxyacetyl)amino]-N-prop-2-enylacetamide (PubChem CID 2094904) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-[(2-phenoxyacetyl)amino]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[(2-phenoxyacetyl)amino]-N-prop-2-enylacetamide
PubChem CID2094904
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-[(2-phenoxyacetyl)amino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CNC(=O)COc1ccccc1
InChIInChI=1S/C13H16N2O3/c1-2-8-14-12(16)9-15-13(17)10-18-11-6-4-3-5-7-11/h2-7H,1,8-10H2,(H,14,16)(H,15,17)
InChIKeyFILSDTZBNNRDSW-UHFFFAOYSA-N
XLogP0.48
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(2-phenoxyacetyl)amino]-N-prop-2-enylacetamide 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

N-[2-oxo-2-(prop-2-enylamino)ethyl]-3-phenoxypropanamide
CID 112990545
2-(3-phenoxyphenoxy)-N-prop-2-enylacetamide
CID 2681751
N-[2-oxo-2-(prop-2-enylamino)ethyl]-2-phenylacetamide
CID 9442349
N-(hydroxymethyl)-2-phenoxyacetamide
CID 12769641
2-(3-methoxyphenoxy)-N-prop-2-enylacetamide
CID 19204009
2-(3-iodophenoxy)-N-prop-2-enylacetamide
CID 60626724
2-(3-cyanophenoxy)-N-prop-2-enylacetamide
CID 24699881
2-(3-ethylphenoxy)-N-prop-2-enylacetamide
CID 19177242
[2-oxo-2-(prop-2-enylamino)ethyl] 2-(4-anilinophenoxy)acetate
CID 2609297
4-[2-oxo-2-(prop-2-enylamino)ethoxy]benzenesulfonyl chloride
CID 82915892
2-(2-phenylphenoxy)-N-prop-2-enylacetamide
CID 7971284
1-(phenoxymethyl)-3-prop-2-enylurea
CID 108888930

Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenoxyacetyl)amino]-N-prop-2-enylacetamide?
The IUPAC name of 2-[(2-phenoxyacetyl)amino]-N-prop-2-enylacetamide (CID 2094904) is 2-[(2-phenoxyacetyl)amino]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[(2-phenoxyacetyl)amino]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[(2-phenoxyacetyl)amino]-N-prop-2-enylacetamide is C=CCNC(=O)CNC(=O)COc1ccccc1.
What is the InChIKey of 2-[(2-phenoxyacetyl)amino]-N-prop-2-enylacetamide?
The InChIKey is FILSDTZBNNRDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-2-8-14-12(16)9-15-13(17)10-18-11-6-4-3-5-7-11/h2-7H,1,8-10H2,(H,14,16)(H,15,17).
What are the key properties of 2-[(2-phenoxyacetyl)amino]-N-prop-2-enylacetamide?
2-[(2-phenoxyacetyl)amino]-N-prop-2-enylacetamide has a molecular weight of 248.28 g/mol, XLogP of 0.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenoxyacetyl)amino]-N-prop-2-enylacetamide is sourced from PubChem (CID 2094904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).