[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 3-(4-acetylphenoxy)propanoate

C17H22N2O7 — CID 31656361

IUPAC[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 3-(4-acetylphenoxy)propanoate
SMILESCOCCNC(=O)NC(=O)COC(=O)CCOc1ccc(C(C)=O)cc1
InChIInChI=1S/C17H22N2O7/c1-12(20)13-3-5-14(6-4-13)25-9-7-16(22)26-11-15(21)19-17(23)18-8-10-24-2/h3-6H,7-11H2,1-2H3,(H2,18,19,21,23)
InChIKeyCXUHHPZBOUQAPO-UHFFFAOYSA-N
MW366.37 g/mol
LogP0.67
Rot. Bonds10

About [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 3-(4-acetylphenoxy)propanoate

[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 3-(4-acetylphenoxy)propanoate (PubChem CID 31656361) has the molecular formula C17H22N2O7 and a molecular weight of 366.37 g/mol. Its IUPAC name is [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 3-(4-acetylphenoxy)propanoate.

Molecular Properties

Compound Name[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 3-(4-acetylphenoxy)propanoate
PubChem CID31656361
Molecular FormulaC17H22N2O7
Molecular Weight366.37 g/mol
Exact Mass366.14
IUPAC Name[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 3-(4-acetylphenoxy)propanoate
SMILESCOCCNC(=O)NC(=O)COC(=O)CCOc1ccc(C(C)=O)cc1
InChIInChI=1S/C17H22N2O7/c1-12(20)13-3-5-14(6-4-13)25-9-7-16(22)26-11-15(21)19-17(23)18-8-10-24-2/h3-6H,7-11H2,1-2H3,(H2,18,19,21,23)
InChIKeyCXUHHPZBOUQAPO-UHFFFAOYSA-N
XLogP0.67
TPSA120.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-(4-acetylphenoxy)propanoate
CID 31655781
[2-(methylcarbamoylamino)-2-oxoethyl] 4-(4-acetylphenoxy)butanoate
CID 7196243
[2-oxo-2-(propylcarbamoylamino)ethyl] 3-(4-methylphenoxy)propanoate
CID 9139525
[2-(4-acetylanilino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate
CID 16535326
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 7905904
(2-benzamido-2-oxoethyl) 3-(4-ethoxyphenoxy)propanoate
CID 35836444
methyl 2-[[2-[3-(4-acetylphenoxy)propanoyloxy]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 31655112
[2-(2-methoxyethylamino)-2-oxoethyl] 2-(4-aminophenoxy)acetate
CID 61485546
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-phenoxypropanoate
CID 4876008
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 9139479
[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylamino)ethyl] 3-(4-acetylphenoxy)propanoate
CID 31657028
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 3-(4-acetylphenoxy)propanoate
CID 31654142

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 3-(4-acetylphenoxy)propanoate?
The IUPAC name of [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 3-(4-acetylphenoxy)propanoate (CID 31656361) is [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 3-(4-acetylphenoxy)propanoate.
What is the SMILES notation for [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 3-(4-acetylphenoxy)propanoate?
The canonical SMILES for [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 3-(4-acetylphenoxy)propanoate is COCCNC(=O)NC(=O)COC(=O)CCOc1ccc(C(C)=O)cc1.
What is the InChIKey of [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 3-(4-acetylphenoxy)propanoate?
The InChIKey is CXUHHPZBOUQAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O7/c1-12(20)13-3-5-14(6-4-13)25-9-7-16(22)26-11-15(21)19-17(23)18-8-10-24-2/h3-6H,7-11H2,1-2H3,(H2,18,19,21,23).
What are the key properties of [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 3-(4-acetylphenoxy)propanoate?
[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 3-(4-acetylphenoxy)propanoate has a molecular weight of 366.37 g/mol, XLogP of 0.67, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 3-(4-acetylphenoxy)propanoate is sourced from PubChem (CID 31656361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).