[2-(ethylcarbamoylamino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate

C16H22N2O6 — CID 7856622

IUPAC[2-(ethylcarbamoylamino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate
SMILESCCNC(=O)NC(=O)COC(=O)CCOc1ccccc1OCC
InChIInChI=1S/C16H22N2O6/c1-3-17-16(21)18-14(19)11-24-15(20)9-10-23-13-8-6-5-7-12(13)22-4-2/h5-8H,3-4,9-11H2,1-2H3,(H2,17,18,19,21)
InChIKeyHXWJHRXPYBACAG-UHFFFAOYSA-N
MW338.36 g/mol
LogP1.24
Rot. Bonds9

About [2-(ethylcarbamoylamino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate

[2-(ethylcarbamoylamino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate (PubChem CID 7856622) has the molecular formula C16H22N2O6 and a molecular weight of 338.36 g/mol. Its IUPAC name is [2-(ethylcarbamoylamino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate.

Molecular Properties

Compound Name[2-(ethylcarbamoylamino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate
PubChem CID7856622
Molecular FormulaC16H22N2O6
Molecular Weight338.36 g/mol
Exact Mass338.15
IUPAC Name[2-(ethylcarbamoylamino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate
SMILESCCNC(=O)NC(=O)COC(=O)CCOc1ccccc1OCC
InChIInChI=1S/C16H22N2O6/c1-3-17-16(21)18-14(19)11-24-15(20)9-10-23-13-8-6-5-7-12(13)22-4-2/h5-8H,3-4,9-11H2,1-2H3,(H2,17,18,19,21)
InChIKeyHXWJHRXPYBACAG-UHFFFAOYSA-N
XLogP1.24
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(ethoxycarbonylamino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate
CID 7856618
[2-(4-fluoroanilino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate
CID 7856676
(2-benzamido-2-oxoethyl) 4-(2-ethoxyphenoxy)butanoate
CID 7147638
[2-(ethylcarbamoylamino)-2-oxoethyl] 3-ethoxy-4-(2-phenoxyethoxy)benzoate
CID 29394084
[2-(ethylcarbamoylamino)-2-oxoethyl] 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 4006350
4-(2-ethoxyphenoxy)-N-ethylbutanamide
CID 78781225
[2-oxo-2-(propylcarbamoylamino)ethyl] 3-(4-methylphenoxy)propanoate
CID 9139525
(2-benzamido-2-oxoethyl) 3-(4-ethoxyphenoxy)propanoate
CID 35836444
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(2-ethoxyphenyl)propanoate
CID 8648600
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 2583176
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 9139997
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 46602827

Frequently Asked Questions

What is the IUPAC name of [2-(ethylcarbamoylamino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate?
The IUPAC name of [2-(ethylcarbamoylamino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate (CID 7856622) is [2-(ethylcarbamoylamino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate.
What is the SMILES notation for [2-(ethylcarbamoylamino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate?
The canonical SMILES for [2-(ethylcarbamoylamino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate is CCNC(=O)NC(=O)COC(=O)CCOc1ccccc1OCC.
What is the InChIKey of [2-(ethylcarbamoylamino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate?
The InChIKey is HXWJHRXPYBACAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O6/c1-3-17-16(21)18-14(19)11-24-15(20)9-10-23-13-8-6-5-7-12(13)22-4-2/h5-8H,3-4,9-11H2,1-2H3,(H2,17,18,19,21).
What are the key properties of [2-(ethylcarbamoylamino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate?
[2-(ethylcarbamoylamino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate has a molecular weight of 338.36 g/mol, XLogP of 1.24, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylcarbamoylamino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate is sourced from PubChem (CID 7856622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).