[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl] 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]acetate

C24H24N2O6 — CID 2897980

IUPAC[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl] 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]acetate
SMILESCc1cc(C)c(C)c(C(=O)COC(=O)CNC(=O)CN2C(=O)c3ccccc3C2=O)c1C
InChIInChI=1S/C24H24N2O6/c1-13-9-14(2)16(4)22(15(13)3)19(27)12-32-21(29)10-25-20(28)11-26-23(30)17-7-5-6-8-18(17)24(26)31/h5-9H,10-12H2,1-4H3,(H,25,28)
InChIKeyMYHCOYXYVDQVEW-UHFFFAOYSA-N
MW436.46 g/mol
LogP2.06
Rot. Bonds7

About [2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl] 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]acetate

[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl] 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]acetate (PubChem CID 2897980) has the molecular formula C24H24N2O6 and a molecular weight of 436.46 g/mol. Its IUPAC name is [2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl] 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]acetate.

Molecular Properties

Compound Name[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl] 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]acetate
PubChem CID2897980
Molecular FormulaC24H24N2O6
Molecular Weight436.46 g/mol
Exact Mass436.16
IUPAC Name[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl] 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]acetate
SMILESCc1cc(C)c(C)c(C(=O)COC(=O)CNC(=O)CN2C(=O)c3ccccc3C2=O)c1C
InChIInChI=1S/C24H24N2O6/c1-13-9-14(2)16(4)22(15(13)3)19(27)12-32-21(29)10-25-20(28)11-26-23(30)17-7-5-6-8-18(17)24(26)31/h5-9H,10-12H2,1-4H3,(H,25,28)
InChIKeyMYHCOYXYVDQVEW-UHFFFAOYSA-N
XLogP2.06
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl] 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]acetate?
The IUPAC name of [2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl] 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]acetate (CID 2897980) is [2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl] 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]acetate.
What is the SMILES notation for [2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl] 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]acetate?
The canonical SMILES for [2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl] 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]acetate is Cc1cc(C)c(C)c(C(=O)COC(=O)CNC(=O)CN2C(=O)c3ccccc3C2=O)c1C.
What is the InChIKey of [2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl] 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]acetate?
The InChIKey is MYHCOYXYVDQVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O6/c1-13-9-14(2)16(4)22(15(13)3)19(27)12-32-21(29)10-25-20(28)11-26-23(30)17-7-5-6-8-18(17)24(26)31/h5-9H,10-12H2,1-4H3,(H,25,28).
What are the key properties of [2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl] 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]acetate?
[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl] 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]acetate has a molecular weight of 436.46 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl] 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]acetate is sourced from PubChem (CID 2897980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).