[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(4-methylphenoxy)propanoate

C20H22N2O5 — CID 9139594

IUPAC[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(4-methylphenoxy)propanoate
SMILESCNC(=O)NC(=O)[C@H](OC(=O)CCOc1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C20H22N2O5/c1-14-8-10-16(11-9-14)26-13-12-17(23)27-18(15-6-4-3-5-7-15)19(24)22-20(25)21-2/h3-11,18H,12-13H2,1-2H3,(H2,21,22,24,25)/t18-/m1/s1
InChIKeyMLZBFTORNVRFDZ-GOSISDBHSA-N
MW370.41 g/mol
LogP2.50
Rot. Bonds7

About [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(4-methylphenoxy)propanoate

[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(4-methylphenoxy)propanoate (PubChem CID 9139594) 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-(4-methylphenoxy)propanoate.

Molecular Properties

Compound Name[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(4-methylphenoxy)propanoate
PubChem CID9139594
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(4-methylphenoxy)propanoate
SMILESCNC(=O)NC(=O)[C@H](OC(=O)CCOc1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C20H22N2O5/c1-14-8-10-16(11-9-14)26-13-12-17(23)27-18(15-6-4-3-5-7-15)19(24)22-20(25)21-2/h3-11,18H,12-13H2,1-2H3,(H2,21,22,24,25)/t18-/m1/s1
InChIKeyMLZBFTORNVRFDZ-GOSISDBHSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(4-acetylphenoxy)butanoate
CID 7196589
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-phenoxypropanoate
CID 7841458
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(4-ethylphenoxy)acetate
CID 7845033
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] (3R)-3-phenylbutanoate
CID 7228141
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(3-methylphenoxy)acetate
CID 7853562
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-methoxyacetate
CID 7776199
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(4-methoxyphenoxy)butanoate
CID 7147468
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(2-chloro-5-methylphenoxy)acetate
CID 7234853
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(2-methoxyphenyl)propanoate
CID 8524352
[2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(5-methylthiophen-2-yl)-4-oxobutanoate
CID 46811429
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(2-methylphenyl)sulfanylacetate
CID 7229689
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-thiophen-2-ylpropanoate
CID 8533898

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(4-methylphenoxy)propanoate?
The IUPAC name of [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(4-methylphenoxy)propanoate (CID 9139594) is [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(4-methylphenoxy)propanoate.
What is the SMILES notation for [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(4-methylphenoxy)propanoate?
The canonical SMILES for [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(4-methylphenoxy)propanoate is CNC(=O)NC(=O)[C@H](OC(=O)CCOc1ccc(C)cc1)c1ccccc1.
What is the InChIKey of [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(4-methylphenoxy)propanoate?
The InChIKey is MLZBFTORNVRFDZ-GOSISDBHSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-14-8-10-16(11-9-14)26-13-12-17(23)27-18(15-6-4-3-5-7-15)19(24)22-20(25)21-2/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-(4-methylphenoxy)propanoate?
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(4-methylphenoxy)propanoate has a molecular weight of 370.41 g/mol, XLogP of 2.50, 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-(4-methylphenoxy)propanoate is sourced from PubChem (CID 9139594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).