[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(2-methoxyphenyl)propanoate

C20H22N2O5 — CID 8524352

IUPAC[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(2-methoxyphenyl)propanoate
SMILESCNC(=O)NC(=O)[C@H](OC(=O)CCc1ccccc1OC)c1ccccc1
InChIInChI=1S/C20H22N2O5/c1-21-20(25)22-19(24)18(15-9-4-3-5-10-15)27-17(23)13-12-14-8-6-7-11-16(14)26-2/h3-11,18H,12-13H2,1-2H3,(H2,21,22,24,25)/t18-/m1/s1
InChIKeyOANNQLITMQBDBG-GOSISDBHSA-N
MW370.41 g/mol
LogP2.37
Rot. Bonds7

About [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(2-methoxyphenyl)propanoate

[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(2-methoxyphenyl)propanoate (PubChem CID 8524352) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(2-methoxyphenyl)propanoate.

Molecular Properties

Compound Name[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(2-methoxyphenyl)propanoate
PubChem CID8524352
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(2-methoxyphenyl)propanoate
SMILESCNC(=O)NC(=O)[C@H](OC(=O)CCc1ccccc1OC)c1ccccc1
InChIInChI=1S/C20H22N2O5/c1-21-20(25)22-19(24)18(15-9-4-3-5-10-15)27-17(23)13-12-14-8-6-7-11-16(14)26-2/h3-11,18H,12-13H2,1-2H3,(H2,21,22,24,25)/t18-/m1/s1
InChIKeyOANNQLITMQBDBG-GOSISDBHSA-N
XLogP2.37
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)propanoate
CID 42971001
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)propanoate
CID 7871072
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-methoxyacetate
CID 7776199
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-thiophen-2-ylpropanoate
CID 8533898
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-thiophen-3-ylpropanoate
CID 8654709
2-[2-(2-methoxyphenyl)ethylamino]-N-(methylcarbamoyl)-2-phenylacetamide
CID 17485051
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 7764456
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] (3R)-3-phenylbutanoate
CID 7228141
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(3-methoxyphenyl)acetate
CID 7840289
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(2-fluorophenoxy)acetate
CID 7842430
[2-(cyclopropylamino)-1-(4-fluorophenyl)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 16589178
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 4-thiophen-2-ylbutanoate
CID 7962901

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(2-methoxyphenyl)propanoate?
The IUPAC name of [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(2-methoxyphenyl)propanoate (CID 8524352) is [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(2-methoxyphenyl)propanoate.
What is the SMILES notation for [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(2-methoxyphenyl)propanoate?
The canonical SMILES for [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(2-methoxyphenyl)propanoate is CNC(=O)NC(=O)[C@H](OC(=O)CCc1ccccc1OC)c1ccccc1.
What is the InChIKey of [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(2-methoxyphenyl)propanoate?
The InChIKey is OANNQLITMQBDBG-GOSISDBHSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-21-20(25)22-19(24)18(15-9-4-3-5-10-15)27-17(23)13-12-14-8-6-7-11-16(14)26-2/h3-11,18H,12-13H2,1-2H3,(H2,21,22,24,25)/t18-/m1/s1.
What are the key properties of [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(2-methoxyphenyl)propanoate?
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(2-methoxyphenyl)propanoate has a molecular weight of 370.41 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(2-methoxyphenyl)propanoate is sourced from PubChem (CID 8524352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).