[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate

C17H24N2O6 — CID 8904897

IUPAC[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
SMILESCOc1ccc(OCC(=O)OCC(=O)NC(=O)NCCC(C)C)cc1
InChIInChI=1S/C17H24N2O6/c1-12(2)8-9-18-17(22)19-15(20)10-25-16(21)11-24-14-6-4-13(23-3)5-7-14/h4-7,12H,8-11H2,1-3H3,(H2,18,19,20,22)
InChIKeyKSLULEUGEAFKKV-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.49
Rot. Bonds9

About [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate

[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate (PubChem CID 8904897) has the molecular formula C17H24N2O6 and a molecular weight of 352.39 g/mol. Its IUPAC name is [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate.

Molecular Properties

Compound Name[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
PubChem CID8904897
Molecular FormulaC17H24N2O6
Molecular Weight352.39 g/mol
Exact Mass352.16
IUPAC Name[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
SMILESCOc1ccc(OCC(=O)OCC(=O)NC(=O)NCCC(C)C)cc1
InChIInChI=1S/C17H24N2O6/c1-12(2)8-9-18-17(22)19-15(20)10-25-16(21)11-24-14-6-4-13(23-3)5-7-14/h4-7,12H,8-11H2,1-3H3,(H2,18,19,20,22)
InChIKeyKSLULEUGEAFKKV-UHFFFAOYSA-N
XLogP1.49
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate with MolForge

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Related Compounds

[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(4-anilinophenoxy)acetate
CID 7149570
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
CID 8007989
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-methoxybenzoate
CID 7986023
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 7846620
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3,4-dimethoxybenzoate
CID 2591432
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2590459
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2544607
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-methoxybenzoate
CID 2627819
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] benzoate
CID 2516996
1-(4-methoxyphenyl)-3-(3-methylbutyl)urea
CID 18884814
[2-oxo-2-(pentan-3-ylamino)ethyl] 2-(4-methoxyphenoxy)acetate
CID 2590405
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 27913717

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate?
The IUPAC name of [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate (CID 8904897) is [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate.
What is the SMILES notation for [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate?
The canonical SMILES for [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate is COc1ccc(OCC(=O)OCC(=O)NC(=O)NCCC(C)C)cc1.
What is the InChIKey of [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate?
The InChIKey is KSLULEUGEAFKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O6/c1-12(2)8-9-18-17(22)19-15(20)10-25-16(21)11-24-14-6-4-13(23-3)5-7-14/h4-7,12H,8-11H2,1-3H3,(H2,18,19,20,22).
What are the key properties of [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate?
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate has a molecular weight of 352.39 g/mol, XLogP of 1.49, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate is sourced from PubChem (CID 8904897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).