[2-(methylcarbamoylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate

C15H20N2O7 — CID 4528014

IUPAC[2-(methylcarbamoylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
SMILESCNC(=O)NC(=O)COC(=O)Cc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C15H20N2O7/c1-16-15(20)17-12(18)8-24-13(19)7-9-5-10(21-2)14(23-4)11(6-9)22-3/h5-6H,7-8H2,1-4H3,(H2,16,17,18,20)
InChIKeyCJRJTUCHQBMSFX-UHFFFAOYSA-N
MW340.33 g/mol
LogP0.25
Rot. Bonds7

About [2-(methylcarbamoylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate

[2-(methylcarbamoylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate (PubChem CID 4528014) has the molecular formula C15H20N2O7 and a molecular weight of 340.33 g/mol. Its IUPAC name is [2-(methylcarbamoylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate.

Molecular Properties

Compound Name[2-(methylcarbamoylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
PubChem CID4528014
Molecular FormulaC15H20N2O7
Molecular Weight340.33 g/mol
Exact Mass340.13
IUPAC Name[2-(methylcarbamoylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
SMILESCNC(=O)NC(=O)COC(=O)Cc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C15H20N2O7/c1-16-15(20)17-12(18)8-24-13(19)7-9-5-10(21-2)14(23-4)11(6-9)22-3/h5-6H,7-8H2,1-4H3,(H2,16,17,18,20)
InChIKeyCJRJTUCHQBMSFX-UHFFFAOYSA-N
XLogP0.25
TPSA112.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 8013820
[2-(cyclopropylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 2365804
[2-(2-methoxyethylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 2573383
[2-oxo-2-(propylcarbamoylamino)ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 7776426
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 2573563
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 8019107
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 2433645
[2-(4-bromo-3-methylanilino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 2334921
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 8013626
[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 8013665
N-[2-(methylamino)ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride
CID 119503323
[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 8013607

Frequently Asked Questions

What is the IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate?
The IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate (CID 4528014) is [2-(methylcarbamoylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate.
What is the SMILES notation for [2-(methylcarbamoylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate?
The canonical SMILES for [2-(methylcarbamoylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate is CNC(=O)NC(=O)COC(=O)Cc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of [2-(methylcarbamoylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate?
The InChIKey is CJRJTUCHQBMSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O7/c1-16-15(20)17-12(18)8-24-13(19)7-9-5-10(21-2)14(23-4)11(6-9)22-3/h5-6H,7-8H2,1-4H3,(H2,16,17,18,20).
What are the key properties of [2-(methylcarbamoylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate?
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate has a molecular weight of 340.33 g/mol, XLogP of 0.25, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylcarbamoylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate is sourced from PubChem (CID 4528014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).