[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] (2S,3R)-3-methyl-2-phenylpentanoate

C23H27NO4 — CID 7772639

IUPAC[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] (2S,3R)-3-methyl-2-phenylpentanoate
SMILESCCC(=O)Nc1ccc(C(=O)COC(=O)[C@H](c2ccccc2)[C@H](C)CC)cc1
InChIInChI=1S/C23H27NO4/c1-4-16(3)22(18-9-7-6-8-10-18)23(27)28-15-20(25)17-11-13-19(14-12-17)24-21(26)5-2/h6-14,16,22H,4-5,15H2,1-3H3,(H,24,26)/t16-,22+/m1/s1
InChIKeyGHGZZYUBYRFNDV-ZHRRBRCNSA-N
MW381.47 g/mol
LogP4.59
Rot. Bonds9

About [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] (2S,3R)-3-methyl-2-phenylpentanoate

[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] (2S,3R)-3-methyl-2-phenylpentanoate (PubChem CID 7772639) has the molecular formula C23H27NO4 and a molecular weight of 381.47 g/mol. Its IUPAC name is [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] (2S,3R)-3-methyl-2-phenylpentanoate.

Molecular Properties

Compound Name[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] (2S,3R)-3-methyl-2-phenylpentanoate
PubChem CID7772639
Molecular FormulaC23H27NO4
Molecular Weight381.47 g/mol
Exact Mass381.19
IUPAC Name[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] (2S,3R)-3-methyl-2-phenylpentanoate
SMILESCCC(=O)Nc1ccc(C(=O)COC(=O)[C@H](c2ccccc2)[C@H](C)CC)cc1
InChIInChI=1S/C23H27NO4/c1-4-16(3)22(18-9-7-6-8-10-18)23(27)28-15-20(25)17-11-13-19(14-12-17)24-21(26)5-2/h6-14,16,22H,4-5,15H2,1-3H3,(H,24,26)/t16-,22+/m1/s1
InChIKeyGHGZZYUBYRFNDV-ZHRRBRCNSA-N
XLogP4.59
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] (2S,3R)-3-methyl-2-phenylpentanoate with MolForge

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Related Compounds

[2-(4-acetamidoanilino)-2-oxoethyl] (2S,3S)-3-methyl-2-phenylpentanoate
CID 7773183
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-methylpropanoate
CID 7782413
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate
CID 7773176
[2-oxo-2-(4-sulfamoylanilino)ethyl] (2R,3R)-3-methyl-2-phenylpentanoate
CID 7772394
[2-(4-nitroanilino)-2-oxoethyl] (2S,3S)-3-methyl-2-phenylpentanoate
CID 7773210
[2-(4-nitroanilino)-2-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate
CID 7773214
[2-oxo-2-(phenylcarbamoylamino)ethyl] (2R,3R)-3-methyl-2-phenylpentanoate
CID 8970656
[2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] (2S,3S)-3-methyl-2-phenylpentanoate
CID 7773154
[2-oxo-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl] (2S,3R)-3-methyl-2-phenylpentanoate
CID 9115117
[2-(2-benzoylhydrazinyl)-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate
CID 7772337
[2-(carbamoylamino)-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate
CID 7772578
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (2S,3S)-3-methyl-2-phenylpentanoate
CID 7772303

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] (2S,3R)-3-methyl-2-phenylpentanoate?
The IUPAC name of [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] (2S,3R)-3-methyl-2-phenylpentanoate (CID 7772639) is [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] (2S,3R)-3-methyl-2-phenylpentanoate.
What is the SMILES notation for [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] (2S,3R)-3-methyl-2-phenylpentanoate?
The canonical SMILES for [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] (2S,3R)-3-methyl-2-phenylpentanoate is CCC(=O)Nc1ccc(C(=O)COC(=O)[C@H](c2ccccc2)[C@H](C)CC)cc1.
What is the InChIKey of [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] (2S,3R)-3-methyl-2-phenylpentanoate?
The InChIKey is GHGZZYUBYRFNDV-ZHRRBRCNSA-N. The full InChI is InChI=1S/C23H27NO4/c1-4-16(3)22(18-9-7-6-8-10-18)23(27)28-15-20(25)17-11-13-19(14-12-17)24-21(26)5-2/h6-14,16,22H,4-5,15H2,1-3H3,(H,24,26)/t16-,22+/m1/s1.
What are the key properties of [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] (2S,3R)-3-methyl-2-phenylpentanoate?
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] (2S,3R)-3-methyl-2-phenylpentanoate has a molecular weight of 381.47 g/mol, XLogP of 4.59, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] (2S,3R)-3-methyl-2-phenylpentanoate is sourced from PubChem (CID 7772639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).