[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 4-(4-methylphenyl)-4-oxobutanoate

C24H29NO4 — CID 8522192

IUPAC[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 4-(4-methylphenyl)-4-oxobutanoate
SMILESCc1ccc(C(=O)CCC(=O)OCC(=O)N[C@H](CC(C)C)c2ccccc2)cc1
InChIInChI=1S/C24H29NO4/c1-17(2)15-21(19-7-5-4-6-8-19)25-23(27)16-29-24(28)14-13-22(26)20-11-9-18(3)10-12-20/h4-12,17,21H,13-16H2,1-3H3,(H,25,27)/t21-/m1/s1
InChIKeyPJORTIHEMIJMPY-OAQYLSRUSA-N
MW395.50 g/mol
LogP4.40
Rot. Bonds10

About [2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 4-(4-methylphenyl)-4-oxobutanoate

[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 4-(4-methylphenyl)-4-oxobutanoate (PubChem CID 8522192) has the molecular formula C24H29NO4 and a molecular weight of 395.50 g/mol. Its IUPAC name is [2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 4-(4-methylphenyl)-4-oxobutanoate.

Molecular Properties

Compound Name[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 4-(4-methylphenyl)-4-oxobutanoate
PubChem CID8522192
Molecular FormulaC24H29NO4
Molecular Weight395.50 g/mol
Exact Mass395.21
IUPAC Name[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 4-(4-methylphenyl)-4-oxobutanoate
SMILESCc1ccc(C(=O)CCC(=O)OCC(=O)N[C@H](CC(C)C)c2ccccc2)cc1
InChIInChI=1S/C24H29NO4/c1-17(2)15-21(19-7-5-4-6-8-19)25-23(27)16-29-24(28)14-13-22(26)20-11-9-18(3)10-12-20/h4-12,17,21H,13-16H2,1-3H3,(H,25,27)/t21-/m1/s1
InChIKeyPJORTIHEMIJMPY-OAQYLSRUSA-N
XLogP4.40
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 4-(4-methylphenyl)-4-oxobutanoate with MolForge

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Related Compounds

[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 4-(3,4-dimethylphenyl)-4-oxobutanoate
CID 9128245
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 2364494
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 2386889
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-oxo-4-(4-phenylphenyl)butanoate
CID 8971558
[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl] 4-(4-methylphenyl)-4-oxobutanoate
CID 55306100
[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 3-(4-methoxyphenyl)propanoate
CID 8534550
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 4-(4-methylsulfanylphenyl)-4-oxobutanoate
CID 7829287
2-methoxy-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 94870263
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 4-oxo-4-(4-phenylphenyl)butanoate
CID 8971401
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-oxo-4-(4-propylphenyl)butanoate
CID 7227188
[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 4-cyanobenzoate
CID 8511836
[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 8510915

Frequently Asked Questions

What is the IUPAC name of [2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 4-(4-methylphenyl)-4-oxobutanoate?
The IUPAC name of [2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 4-(4-methylphenyl)-4-oxobutanoate (CID 8522192) is [2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 4-(4-methylphenyl)-4-oxobutanoate.
What is the SMILES notation for [2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 4-(4-methylphenyl)-4-oxobutanoate?
The canonical SMILES for [2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 4-(4-methylphenyl)-4-oxobutanoate is Cc1ccc(C(=O)CCC(=O)OCC(=O)N[C@H](CC(C)C)c2ccccc2)cc1.
What is the InChIKey of [2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 4-(4-methylphenyl)-4-oxobutanoate?
The InChIKey is PJORTIHEMIJMPY-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H29NO4/c1-17(2)15-21(19-7-5-4-6-8-19)25-23(27)16-29-24(28)14-13-22(26)20-11-9-18(3)10-12-20/h4-12,17,21H,13-16H2,1-3H3,(H,25,27)/t21-/m1/s1.
What are the key properties of [2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 4-(4-methylphenyl)-4-oxobutanoate?
[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 4-(4-methylphenyl)-4-oxobutanoate has a molecular weight of 395.50 g/mol, XLogP of 4.40, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 4-(4-methylphenyl)-4-oxobutanoate is sourced from PubChem (CID 8522192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).