[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] (3R)-3-phenylbutanoate

C20H22N2O4 — CID 7228141

IUPAC[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] (3R)-3-phenylbutanoate
SMILESCNC(=O)NC(=O)[C@@H](OC(=O)C[C@@H](C)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H22N2O4/c1-14(15-9-5-3-6-10-15)13-17(23)26-18(16-11-7-4-8-12-16)19(24)22-20(25)21-2/h3-12,14,18H,13H2,1-2H3,(H2,21,22,24,25)/t14-,18+/m1/s1
InChIKeyMOAIRQMCLPUCMW-KDOFPFPSSA-N
MW354.41 g/mol
LogP2.92
Rot. Bonds6

About [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] (3R)-3-phenylbutanoate

[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] (3R)-3-phenylbutanoate (PubChem CID 7228141) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] (3R)-3-phenylbutanoate.

Molecular Properties

Compound Name[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] (3R)-3-phenylbutanoate
PubChem CID7228141
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] (3R)-3-phenylbutanoate
SMILESCNC(=O)NC(=O)[C@@H](OC(=O)C[C@@H](C)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H22N2O4/c1-14(15-9-5-3-6-10-15)13-17(23)26-18(16-11-7-4-8-12-16)19(24)22-20(25)21-2/h3-12,14,18H,13H2,1-2H3,(H2,21,22,24,25)/t14-,18+/m1/s1
InChIKeyMOAIRQMCLPUCMW-KDOFPFPSSA-N
XLogP2.92
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] (3R)-3-phenylbutanoate with MolForge

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Related Compounds

[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-methoxyacetate
CID 7776199
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(2-fluorophenyl)sulfanylacetate
CID 7676495
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(2-methylphenyl)sulfanylacetate
CID 7229689
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-cyclopentylacetate
CID 7722501
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(4-methylphenoxy)propanoate
CID 9139594
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(4-ethylphenoxy)acetate
CID 7845033
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(2-fluorophenoxy)acetate
CID 7842430
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(2-methoxyphenyl)propanoate
CID 8524352
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-naphthalen-2-ylsulfanylacetate
CID 7795814
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 7764456
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-thiophen-2-ylpropanoate
CID 8533898
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(1-adamantyl)acetate
CID 7695835

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] (3R)-3-phenylbutanoate?
The IUPAC name of [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] (3R)-3-phenylbutanoate (CID 7228141) is [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] (3R)-3-phenylbutanoate.
What is the SMILES notation for [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] (3R)-3-phenylbutanoate?
The canonical SMILES for [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] (3R)-3-phenylbutanoate is CNC(=O)NC(=O)[C@@H](OC(=O)C[C@@H](C)c1ccccc1)c1ccccc1.
What is the InChIKey of [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] (3R)-3-phenylbutanoate?
The InChIKey is MOAIRQMCLPUCMW-KDOFPFPSSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-14(15-9-5-3-6-10-15)13-17(23)26-18(16-11-7-4-8-12-16)19(24)22-20(25)21-2/h3-12,14,18H,13H2,1-2H3,(H2,21,22,24,25)/t14-,18+/m1/s1.
What are the key properties of [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] (3R)-3-phenylbutanoate?
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] (3R)-3-phenylbutanoate has a molecular weight of 354.41 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] (3R)-3-phenylbutanoate is sourced from PubChem (CID 7228141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).