[2-oxo-2-(prop-2-enylamino)ethyl] 2-(4-anilinophenoxy)acetate

C19H20N2O4 — CID 2609297

IUPAC[2-oxo-2-(prop-2-enylamino)ethyl] 2-(4-anilinophenoxy)acetate
SMILESC=CCNC(=O)COC(=O)COc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C19H20N2O4/c1-2-12-20-18(22)13-25-19(23)14-24-17-10-8-16(9-11-17)21-15-6-4-3-5-7-15/h2-11,21H,1,12-14H2,(H,20,22)
InChIKeyOOTFUWYIZCRTHC-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.65
Rot. Bonds9

About [2-oxo-2-(prop-2-enylamino)ethyl] 2-(4-anilinophenoxy)acetate

[2-oxo-2-(prop-2-enylamino)ethyl] 2-(4-anilinophenoxy)acetate (PubChem CID 2609297) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is [2-oxo-2-(prop-2-enylamino)ethyl] 2-(4-anilinophenoxy)acetate.

Molecular Properties

Compound Name[2-oxo-2-(prop-2-enylamino)ethyl] 2-(4-anilinophenoxy)acetate
PubChem CID2609297
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name[2-oxo-2-(prop-2-enylamino)ethyl] 2-(4-anilinophenoxy)acetate
SMILESC=CCNC(=O)COC(=O)COc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C19H20N2O4/c1-2-12-20-18(22)13-25-19(23)14-24-17-10-8-16(9-11-17)21-15-6-4-3-5-7-15/h2-11,21H,1,12-14H2,(H,20,22)
InChIKeyOOTFUWYIZCRTHC-UHFFFAOYSA-N
XLogP2.65
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(carbamoylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate
CID 2609306
[2-(cyclopentylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate
CID 7149623
2-[(2-phenoxyacetyl)amino]-N-prop-2-enylacetamide
CID 2094904
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate
CID 7149570
N-(4-anilinophenyl)-2-(4-phenylphenoxy)acetamide
CID 4511463
(2-oxo-2-piperidin-1-ylethyl) 2-(4-anilinophenoxy)acetate
CID 2556596
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(4-anilinophenoxy)acetate
CID 7149554
[2-(4-fluoroanilino)-2-oxoethyl] 2-phenoxyacetate
CID 2485751
2-[4-[(1S)-1-aminoethyl]phenoxy]-N-prop-2-enylacetamide
CID 78932793
2-(3-phenoxyphenoxy)-N-prop-2-enylacetamide
CID 2681751
2-[[2-(4-anilinophenoxy)acetyl]amino]-N-ethylacetamide
CID 18145615
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-phenoxyacetate
CID 2506763

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(prop-2-enylamino)ethyl] 2-(4-anilinophenoxy)acetate?
The IUPAC name of [2-oxo-2-(prop-2-enylamino)ethyl] 2-(4-anilinophenoxy)acetate (CID 2609297) is [2-oxo-2-(prop-2-enylamino)ethyl] 2-(4-anilinophenoxy)acetate.
What is the SMILES notation for [2-oxo-2-(prop-2-enylamino)ethyl] 2-(4-anilinophenoxy)acetate?
The canonical SMILES for [2-oxo-2-(prop-2-enylamino)ethyl] 2-(4-anilinophenoxy)acetate is C=CCNC(=O)COC(=O)COc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of [2-oxo-2-(prop-2-enylamino)ethyl] 2-(4-anilinophenoxy)acetate?
The InChIKey is OOTFUWYIZCRTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-2-12-20-18(22)13-25-19(23)14-24-17-10-8-16(9-11-17)21-15-6-4-3-5-7-15/h2-11,21H,1,12-14H2,(H,20,22).
What are the key properties of [2-oxo-2-(prop-2-enylamino)ethyl] 2-(4-anilinophenoxy)acetate?
[2-oxo-2-(prop-2-enylamino)ethyl] 2-(4-anilinophenoxy)acetate has a molecular weight of 340.38 g/mol, XLogP of 2.65, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(prop-2-enylamino)ethyl] 2-(4-anilinophenoxy)acetate is sourced from PubChem (CID 2609297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).