[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(4-fluorophenyl)-4-oxobutanoate

C20H19FN2O5 — CID 7764456

IUPAC[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(4-fluorophenyl)-4-oxobutanoate
SMILESCNC(=O)NC(=O)[C@H](OC(=O)CCC(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C20H19FN2O5/c1-22-20(27)23-19(26)18(14-5-3-2-4-6-14)28-17(25)12-11-16(24)13-7-9-15(21)10-8-13/h2-10,18H,11-12H2,1H3,(H2,22,23,26,27)/t18-/m1/s1
InChIKeyCOJRLEPCTYAGSD-GOSISDBHSA-N
MW386.38 g/mol
LogP2.53
Rot. Bonds7

About [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(4-fluorophenyl)-4-oxobutanoate

[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(4-fluorophenyl)-4-oxobutanoate (PubChem CID 7764456) has the molecular formula C20H19FN2O5 and a molecular weight of 386.38 g/mol. Its IUPAC name is [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(4-fluorophenyl)-4-oxobutanoate.

Molecular Properties

Compound Name[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(4-fluorophenyl)-4-oxobutanoate
PubChem CID7764456
Molecular FormulaC20H19FN2O5
Molecular Weight386.38 g/mol
Exact Mass386.13
IUPAC Name[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(4-fluorophenyl)-4-oxobutanoate
SMILESCNC(=O)NC(=O)[C@H](OC(=O)CCC(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C20H19FN2O5/c1-22-20(27)23-19(26)18(14-5-3-2-4-6-14)28-17(25)12-11-16(24)13-7-9-15(21)10-8-13/h2-10,18H,11-12H2,1H3,(H2,22,23,26,27)/t18-/m1/s1
InChIKeyCOJRLEPCTYAGSD-GOSISDBHSA-N
XLogP2.53
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(4-fluorophenyl)-4-oxobutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 7750970
[2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(5-methylthiophen-2-yl)-4-oxobutanoate
CID 46811429
[(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-methoxyacetate
CID 7776199
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(2-fluorophenyl)sulfanylacetate
CID 7676495
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(4-acetylphenoxy)butanoate
CID 7196589
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] (3R)-3-phenylbutanoate
CID 7228141
1-O-methyl 4-O-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] benzene-1,4-dicarboxylate
CID 7239688
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(4-methylphenoxy)propanoate
CID 9139594
[(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

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(4-fluorophenyl)-4-oxobutanoate?
The IUPAC name of [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(4-fluorophenyl)-4-oxobutanoate (CID 7764456) is [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(4-fluorophenyl)-4-oxobutanoate.
What is the SMILES notation for [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(4-fluorophenyl)-4-oxobutanoate?
The canonical SMILES for [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(4-fluorophenyl)-4-oxobutanoate is CNC(=O)NC(=O)[C@H](OC(=O)CCC(=O)c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(4-fluorophenyl)-4-oxobutanoate?
The InChIKey is COJRLEPCTYAGSD-GOSISDBHSA-N. The full InChI is InChI=1S/C20H19FN2O5/c1-22-20(27)23-19(26)18(14-5-3-2-4-6-14)28-17(25)12-11-16(24)13-7-9-15(21)10-8-13/h2-10,18H,11-12H2,1H3,(H2,22,23,26,27)/t18-/m1/s1.
What are the key properties of [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(4-fluorophenyl)-4-oxobutanoate?
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 4-(4-fluorophenyl)-4-oxobutanoate has a molecular weight of 386.38 g/mol, XLogP of 2.53, 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] 4-(4-fluorophenyl)-4-oxobutanoate is sourced from PubChem (CID 7764456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).