2-(1,3-dioxoisoindol-2-yl)ethyl 2-methyl-2-phenylpropanoate

C20H19NO4 — CID 7984738

IUPAC2-(1,3-dioxoisoindol-2-yl)ethyl 2-methyl-2-phenylpropanoate
SMILESCC(C)(C(=O)OCCN1C(=O)c2ccccc2C1=O)c1ccccc1
InChIInChI=1S/C20H19NO4/c1-20(2,14-8-4-3-5-9-14)19(24)25-13-12-21-17(22)15-10-6-7-11-16(15)18(21)23/h3-11H,12-13H2,1-2H3
InChIKeyRQKUGEIXJGBXGU-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.80
Rot. Bonds5

About 2-(1,3-dioxoisoindol-2-yl)ethyl 2-methyl-2-phenylpropanoate

2-(1,3-dioxoisoindol-2-yl)ethyl 2-methyl-2-phenylpropanoate (PubChem CID 7984738) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)ethyl 2-methyl-2-phenylpropanoate.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)ethyl 2-methyl-2-phenylpropanoate
PubChem CID7984738
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name2-(1,3-dioxoisoindol-2-yl)ethyl 2-methyl-2-phenylpropanoate
SMILESCC(C)(C(=O)OCCN1C(=O)c2ccccc2C1=O)c1ccccc1
InChIInChI=1S/C20H19NO4/c1-20(2,14-8-4-3-5-9-14)19(24)25-13-12-21-17(22)15-10-6-7-11-16(15)18(21)23/h3-11H,12-13H2,1-2H3
InChIKeyRQKUGEIXJGBXGU-UHFFFAOYSA-N
XLogP2.80
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)ethyl 3,3-dimethylbutanoate
CID 52887662
2-chloroethyl 2-methyl-2-phenylpropanoate
CID 12842805
2-(1,3-dioxoisoindol-2-yl)ethyl 2,3,4,5,6-pentamethylbenzoate
CID 7235473
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
2-(1,3-dioxoisoindol-2-yl)ethyl 2-methylbenzoate
CID 2604663
(2R)-4-(1,3-dioxoisoindol-2-yl)-2-ethoxycarbonyl-2-methylbutanoic acid
CID 71517830
2-(2-hydroperoxyethyl)isoindole-1,3-dione
CID 144780934
2-(6,6-dimethyl-5,7-dioxononyl)isoindole-1,3-dione
CID 167549198
2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethyl acetate
CID 16720658
2-(1,3-dioxoisoindol-2-yl)ethyl 2-(N-methylanilino)propanoate
CID 10970209
3-O-butyl 1-O-[2-(1,3-dioxoisoindol-2-yl)ethyl] 5-O-methyl 1,1,5-trimethylhexane-1,3,5-tricarboxylate
CID 171578910
2-(1,3-dioxoisoindol-2-yl)ethyl 2-[3-(trifluoromethyl)phenyl]acetate
CID 7767496

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)ethyl 2-methyl-2-phenylpropanoate?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)ethyl 2-methyl-2-phenylpropanoate (CID 7984738) is 2-(1,3-dioxoisoindol-2-yl)ethyl 2-methyl-2-phenylpropanoate.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)ethyl 2-methyl-2-phenylpropanoate?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)ethyl 2-methyl-2-phenylpropanoate is CC(C)(C(=O)OCCN1C(=O)c2ccccc2C1=O)c1ccccc1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)ethyl 2-methyl-2-phenylpropanoate?
The InChIKey is RQKUGEIXJGBXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-20(2,14-8-4-3-5-9-14)19(24)25-13-12-21-17(22)15-10-6-7-11-16(15)18(21)23/h3-11H,12-13H2,1-2H3.
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)ethyl 2-methyl-2-phenylpropanoate?
2-(1,3-dioxoisoindol-2-yl)ethyl 2-methyl-2-phenylpropanoate has a molecular weight of 337.38 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)ethyl 2-methyl-2-phenylpropanoate is sourced from PubChem (CID 7984738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).