[2-(ethylcarbamoylamino)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate

C15H20N2O5 — CID 2595886

IUPAC[2-(ethylcarbamoylamino)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
SMILESCCNC(=O)NC(=O)COC(=O)COc1ccc(C)c(C)c1
InChIInChI=1S/C15H20N2O5/c1-4-16-15(20)17-13(18)8-22-14(19)9-21-12-6-5-10(2)11(3)7-12/h5-7H,4,8-9H2,1-3H3,(H2,16,17,18,20)
InChIKeyZMQJDXVCLUSULK-UHFFFAOYSA-N
MW308.33 g/mol
LogP1.07
Rot. Bonds6

About [2-(ethylcarbamoylamino)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate

[2-(ethylcarbamoylamino)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate (PubChem CID 2595886) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is [2-(ethylcarbamoylamino)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate.

Molecular Properties

Compound Name[2-(ethylcarbamoylamino)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
PubChem CID2595886
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Name[2-(ethylcarbamoylamino)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
SMILESCCNC(=O)NC(=O)COC(=O)COc1ccc(C)c(C)c1
InChIInChI=1S/C15H20N2O5/c1-4-16-15(20)17-13(18)8-22-14(19)9-21-12-6-5-10(2)11(3)7-12/h5-7H,4,8-9H2,1-3H3,(H2,16,17,18,20)
InChIKeyZMQJDXVCLUSULK-UHFFFAOYSA-N
XLogP1.07
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(ethylcarbamoylamino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
CID 2583176
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
CID 8923873
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 4673954
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
CID 40706651
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(3,4-dimethylphenoxy)acetate
CID 8923913
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
CID 9492510
[2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 27213272
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-(2,4,5-trichlorophenoxy)acetate
CID 8785756
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
CID 40706675
[2-(3-bromoanilino)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
CID 4803885
[2-(4-cyanoanilino)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
CID 8923798
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(3,4-dimethylphenoxy)acetate
CID 2595829

Frequently Asked Questions

What is the IUPAC name of [2-(ethylcarbamoylamino)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate?
The IUPAC name of [2-(ethylcarbamoylamino)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate (CID 2595886) is [2-(ethylcarbamoylamino)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate.
What is the SMILES notation for [2-(ethylcarbamoylamino)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate?
The canonical SMILES for [2-(ethylcarbamoylamino)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate is CCNC(=O)NC(=O)COC(=O)COc1ccc(C)c(C)c1.
What is the InChIKey of [2-(ethylcarbamoylamino)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate?
The InChIKey is ZMQJDXVCLUSULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5/c1-4-16-15(20)17-13(18)8-22-14(19)9-21-12-6-5-10(2)11(3)7-12/h5-7H,4,8-9H2,1-3H3,(H2,16,17,18,20).
What are the key properties of [2-(ethylcarbamoylamino)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate?
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate has a molecular weight of 308.33 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylcarbamoylamino)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate is sourced from PubChem (CID 2595886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).