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

C16H20N2O6 — CID 7196243

IUPAC[2-(methylcarbamoylamino)-2-oxoethyl] 4-(4-acetylphenoxy)butanoate
SMILESCNC(=O)NC(=O)COC(=O)CCCOc1ccc(C(C)=O)cc1
InChIInChI=1S/C16H20N2O6/c1-11(19)12-5-7-13(8-6-12)23-9-3-4-15(21)24-10-14(20)18-16(22)17-2/h5-8H,3-4,9-10H2,1-2H3,(H2,17,18,20,22)
InChIKeyJOHZVRFBFITUNJ-UHFFFAOYSA-N
MW336.34 g/mol
LogP1.05
Rot. Bonds8

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

[2-(methylcarbamoylamino)-2-oxoethyl] 4-(4-acetylphenoxy)butanoate (PubChem CID 7196243) has the molecular formula C16H20N2O6 and a molecular weight of 336.34 g/mol. Its IUPAC name is [2-(methylcarbamoylamino)-2-oxoethyl] 4-(4-acetylphenoxy)butanoate.

Molecular Properties

Compound Name[2-(methylcarbamoylamino)-2-oxoethyl] 4-(4-acetylphenoxy)butanoate
PubChem CID7196243
Molecular FormulaC16H20N2O6
Molecular Weight336.34 g/mol
Exact Mass336.13
IUPAC Name[2-(methylcarbamoylamino)-2-oxoethyl] 4-(4-acetylphenoxy)butanoate
SMILESCNC(=O)NC(=O)COC(=O)CCCOc1ccc(C(C)=O)cc1
InChIInChI=1S/C16H20N2O6/c1-11(19)12-5-7-13(8-6-12)23-9-3-4-15(21)24-10-14(20)18-16(22)17-2/h5-8H,3-4,9-10H2,1-2H3,(H2,17,18,20,22)
InChIKeyJOHZVRFBFITUNJ-UHFFFAOYSA-N
XLogP1.05
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 51.05
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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Related Compounds

[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 3-(4-acetylphenoxy)propanoate
CID 31656361
[2-(methylcarbamoylamino)-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 7885614
[2-(2-carbamoylanilino)-2-oxoethyl] 4-(4-acetylphenoxy)butanoate
CID 7196596
[2-(4-acetamidophenyl)-2-oxoethyl] 4-(4-acetylphenoxy)butanoate
CID 18231230
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(4-acetylphenoxy)butanoate
CID 7196589
[2-(2-cyanoanilino)-2-oxoethyl] 4-(4-acetylphenoxy)butanoate
CID 7196431
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 4-(4-acetylphenoxy)butanoate
CID 7431944
[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 4-(4-acetylphenoxy)butanoate
CID 7196448
[2-(3,4-diethoxyanilino)-2-oxoethyl] 4-(4-acetylphenoxy)butanoate
CID 4842334
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 4-(4-methoxyphenoxy)butanoate
CID 3293025
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 3-(4-acetylphenoxy)propanoate
CID 31655781
[2-(4-acetylanilino)-2-oxoethyl] 3-(4-ethoxyphenoxy)propanoate
CID 16535326

Frequently Asked Questions

What is the IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 4-(4-acetylphenoxy)butanoate?
The IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 4-(4-acetylphenoxy)butanoate (CID 7196243) is [2-(methylcarbamoylamino)-2-oxoethyl] 4-(4-acetylphenoxy)butanoate.
What is the SMILES notation for [2-(methylcarbamoylamino)-2-oxoethyl] 4-(4-acetylphenoxy)butanoate?
The canonical SMILES for [2-(methylcarbamoylamino)-2-oxoethyl] 4-(4-acetylphenoxy)butanoate is CNC(=O)NC(=O)COC(=O)CCCOc1ccc(C(C)=O)cc1.
What is the InChIKey of [2-(methylcarbamoylamino)-2-oxoethyl] 4-(4-acetylphenoxy)butanoate?
The InChIKey is JOHZVRFBFITUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O6/c1-11(19)12-5-7-13(8-6-12)23-9-3-4-15(21)24-10-14(20)18-16(22)17-2/h5-8H,3-4,9-10H2,1-2H3,(H2,17,18,20,22).
What are the key properties of [2-(methylcarbamoylamino)-2-oxoethyl] 4-(4-acetylphenoxy)butanoate?
[2-(methylcarbamoylamino)-2-oxoethyl] 4-(4-acetylphenoxy)butanoate has a molecular weight of 336.34 g/mol, XLogP of 1.05, 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-acetylphenoxy)butanoate is sourced from PubChem (CID 7196243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).