[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(4-ethylphenoxy)acetate

C20H22N2O5 — CID 7845033

IUPAC[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(4-ethylphenoxy)acetate
SMILESCCc1ccc(OCC(=O)O[C@@H](C(=O)NC(=O)NC)c2ccccc2)cc1
InChIInChI=1S/C20H22N2O5/c1-3-14-9-11-16(12-10-14)26-13-17(23)27-18(15-7-5-4-6-8-15)19(24)22-20(25)21-2/h4-12,18H,3,13H2,1-2H3,(H2,21,22,24,25)/t18-/m1/s1
InChIKeyXMZJGGOGTWEJFH-GOSISDBHSA-N
MW370.41 g/mol
LogP2.37
Rot. Bonds7

About [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(4-ethylphenoxy)acetate

[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(4-ethylphenoxy)acetate (PubChem CID 7845033) 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] 2-(4-ethylphenoxy)acetate.

Molecular Properties

Compound Name[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(4-ethylphenoxy)acetate
PubChem CID7845033
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(4-ethylphenoxy)acetate
SMILESCCc1ccc(OCC(=O)O[C@@H](C(=O)NC(=O)NC)c2ccccc2)cc1
InChIInChI=1S/C20H22N2O5/c1-3-14-9-11-16(12-10-14)26-13-17(23)27-18(15-7-5-4-6-8-15)19(24)22-20(25)21-2/h4-12,18H,3,13H2,1-2H3,(H2,21,22,24,25)/t18-/m1/s1
InChIKeyXMZJGGOGTWEJFH-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

[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(4-ethoxyphenoxy)acetate
CID 7274048
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-phenoxyacetate
CID 7697638
[(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-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(3-chlorophenoxy)acetate
CID 7804009
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(2-fluorophenoxy)acetate
CID 7842430
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(4-methylphenoxy)propanoate
CID 9139594
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(4-cyanophenoxy)acetate
CID 7843330
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] (3R)-3-phenylbutanoate
CID 7228141
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(4-acetylphenoxy)butanoate
CID 7196589
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(3,4-dimethylphenoxy)acetate
CID 8923913
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(2-chloro-5-methylphenoxy)acetate
CID 7234853

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(4-ethylphenoxy)acetate?
The IUPAC name of [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(4-ethylphenoxy)acetate (CID 7845033) is [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(4-ethylphenoxy)acetate.
What is the SMILES notation for [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(4-ethylphenoxy)acetate?
The canonical SMILES for [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(4-ethylphenoxy)acetate is CCc1ccc(OCC(=O)O[C@@H](C(=O)NC(=O)NC)c2ccccc2)cc1.
What is the InChIKey of [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(4-ethylphenoxy)acetate?
The InChIKey is XMZJGGOGTWEJFH-GOSISDBHSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-3-14-9-11-16(12-10-14)26-13-17(23)27-18(15-7-5-4-6-8-15)19(24)22-20(25)21-2/h4-12,18H,3,13H2,1-2H3,(H2,21,22,24,25)/t18-/m1/s1.
What are the key properties of [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(4-ethylphenoxy)acetate?
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(4-ethylphenoxy)acetate 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] 2-(4-ethylphenoxy)acetate is sourced from PubChem (CID 7845033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).