[2-(methylcarbamoylamino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate

C15H20N2O6 — CID 2546786

IUPAC[2-(methylcarbamoylamino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate
SMILESCNC(=O)NC(=O)COC(=O)CCCOc1ccc(OC)cc1
InChIInChI=1S/C15H20N2O6/c1-16-15(20)17-13(18)10-23-14(19)4-3-9-22-12-7-5-11(21-2)6-8-12/h5-8H,3-4,9-10H2,1-2H3,(H2,16,17,18,20)
InChIKeyDWAUAJAQTYSUFD-UHFFFAOYSA-N
MW324.33 g/mol
LogP0.85
Rot. Bonds8

About [2-(methylcarbamoylamino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate

[2-(methylcarbamoylamino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate (PubChem CID 2546786) has the molecular formula C15H20N2O6 and a molecular weight of 324.33 g/mol. Its IUPAC name is [2-(methylcarbamoylamino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate.

Molecular Properties

Compound Name[2-(methylcarbamoylamino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate
PubChem CID2546786
Molecular FormulaC15H20N2O6
Molecular Weight324.33 g/mol
Exact Mass324.13
IUPAC Name[2-(methylcarbamoylamino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate
SMILESCNC(=O)NC(=O)COC(=O)CCCOc1ccc(OC)cc1
InChIInChI=1S/C15H20N2O6/c1-16-15(20)17-13(18)10-23-14(19)4-3-9-22-12-7-5-11(21-2)6-8-12/h5-8H,3-4,9-10H2,1-2H3,(H2,16,17,18,20)
InChIKeyDWAUAJAQTYSUFD-UHFFFAOYSA-N
XLogP0.85
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate?
The IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate (CID 2546786) is [2-(methylcarbamoylamino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate.
What is the SMILES notation for [2-(methylcarbamoylamino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate?
The canonical SMILES for [2-(methylcarbamoylamino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate is CNC(=O)NC(=O)COC(=O)CCCOc1ccc(OC)cc1.
What is the InChIKey of [2-(methylcarbamoylamino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate?
The InChIKey is DWAUAJAQTYSUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O6/c1-16-15(20)17-13(18)10-23-14(19)4-3-9-22-12-7-5-11(21-2)6-8-12/h5-8H,3-4,9-10H2,1-2H3,(H2,16,17,18,20).
What are the key properties of [2-(methylcarbamoylamino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate?
[2-(methylcarbamoylamino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate has a molecular weight of 324.33 g/mol, XLogP of 0.85, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylcarbamoylamino)-2-oxoethyl] 4-(4-methoxyphenoxy)butanoate is sourced from PubChem (CID 2546786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).