[(1R)-1,2-bis(4-methylphenyl)-2-oxoethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate

C27H23NO5 — CID 2435251

IUPAC[(1R)-1,2-bis(4-methylphenyl)-2-oxoethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
SMILESCc1ccc(C(=O)[C@H](OC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C27H23NO5/c1-16-8-12-19(13-9-16)23(29)24(20-14-10-17(2)11-15-20)33-27(32)18(3)28-25(30)21-6-4-5-7-22(21)26(28)31/h4-15,18,24H,1-3H3/t18-,24-/m1/s1
InChIKeyYPYRXXJRLBWSFQ-HOYKHHGWSA-N
MW441.48 g/mol
LogP4.46
Rot. Bonds6

About [(1R)-1,2-bis(4-methylphenyl)-2-oxoethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate

[(1R)-1,2-bis(4-methylphenyl)-2-oxoethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate (PubChem CID 2435251) has the molecular formula C27H23NO5 and a molecular weight of 441.48 g/mol. Its IUPAC name is [(1R)-1,2-bis(4-methylphenyl)-2-oxoethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate.

Molecular Properties

Compound Name[(1R)-1,2-bis(4-methylphenyl)-2-oxoethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
PubChem CID2435251
Molecular FormulaC27H23NO5
Molecular Weight441.48 g/mol
Exact Mass441.16
IUPAC Name[(1R)-1,2-bis(4-methylphenyl)-2-oxoethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
SMILESCc1ccc(C(=O)[C@H](OC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C27H23NO5/c1-16-8-12-19(13-9-16)23(29)24(20-14-10-17(2)11-15-20)33-27(32)18(3)28-25(30)21-6-4-5-7-22(21)26(28)31/h4-15,18,24H,1-3H3/t18-,24-/m1/s1
InChIKeyYPYRXXJRLBWSFQ-HOYKHHGWSA-N
XLogP4.46
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.48
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

[(1S)-2-oxo-1,2-diphenylethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8926233
[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 2597358
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8926677
propan-2-yl 2-(1,3-dioxoisoindol-2-yl)propanoate
CID 75674147
[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl] (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8521664
[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8521665
[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2,2-diphenylacetate
CID 2926355
[(1R)-1-phenylethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8926307
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 2596951
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 2596961
[(2R)-1-amino-1-oxopropan-2-yl] (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8926563
[(2S)-1-amino-1-oxopropan-2-yl] (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8926560

Frequently Asked Questions

What is the IUPAC name of [(1R)-1,2-bis(4-methylphenyl)-2-oxoethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate?
The IUPAC name of [(1R)-1,2-bis(4-methylphenyl)-2-oxoethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate (CID 2435251) is [(1R)-1,2-bis(4-methylphenyl)-2-oxoethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate.
What is the SMILES notation for [(1R)-1,2-bis(4-methylphenyl)-2-oxoethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate?
The canonical SMILES for [(1R)-1,2-bis(4-methylphenyl)-2-oxoethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate is Cc1ccc(C(=O)[C@H](OC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)c2ccc(C)cc2)cc1.
What is the InChIKey of [(1R)-1,2-bis(4-methylphenyl)-2-oxoethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate?
The InChIKey is YPYRXXJRLBWSFQ-HOYKHHGWSA-N. The full InChI is InChI=1S/C27H23NO5/c1-16-8-12-19(13-9-16)23(29)24(20-14-10-17(2)11-15-20)33-27(32)18(3)28-25(30)21-6-4-5-7-22(21)26(28)31/h4-15,18,24H,1-3H3/t18-,24-/m1/s1.
What are the key properties of [(1R)-1,2-bis(4-methylphenyl)-2-oxoethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate?
[(1R)-1,2-bis(4-methylphenyl)-2-oxoethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate has a molecular weight of 441.48 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1,2-bis(4-methylphenyl)-2-oxoethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)propanoate is sourced from PubChem (CID 2435251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).