[1-(1,3-dioxoisoindol-2-yl)-3-phenylpropan-2-yl] acetate

C19H17NO4 — CID 135006109

IUPAC[1-(1,3-dioxoisoindol-2-yl)-3-phenylpropan-2-yl] acetate
SMILESCC(=O)OC(Cc1ccccc1)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H17NO4/c1-13(21)24-15(11-14-7-3-2-4-8-14)12-20-18(22)16-9-5-6-10-17(16)19(20)23/h2-10,15H,11-12H2,1H3
InChIKeyIZMAQQLJICCNOA-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.46
Rot. Bonds5

About [1-(1,3-dioxoisoindol-2-yl)-3-phenylpropan-2-yl] acetate

[1-(1,3-dioxoisoindol-2-yl)-3-phenylpropan-2-yl] acetate (PubChem CID 135006109) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is [1-(1,3-dioxoisoindol-2-yl)-3-phenylpropan-2-yl] acetate.

Molecular Properties

Compound Name[1-(1,3-dioxoisoindol-2-yl)-3-phenylpropan-2-yl] acetate
PubChem CID135006109
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name[1-(1,3-dioxoisoindol-2-yl)-3-phenylpropan-2-yl] acetate
SMILESCC(=O)OC(Cc1ccccc1)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H17NO4/c1-13(21)24-15(11-14-7-3-2-4-8-14)12-20-18(22)16-9-5-6-10-17(16)19(20)23/h2-10,15H,11-12H2,1H3
InChIKeyIZMAQQLJICCNOA-UHFFFAOYSA-N
XLogP2.46
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.46
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

N-Phthaloyl-DL-phenylalanine
CID 227754
(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)(phenyl)acetic acid
CID 272803
(2S)-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanoic acid
CID 334207
1H-Isoindole-1,3(2H)-dione, 2-(2-(acetyloxy)ethyl)-
CID 79597
(R)-2-(1-oxoisoindolin-2-yl)-2-phenylacetic acid
CID 5308032
2,2'-(Oxybis(ethane-2,1-diyl))bis(isoindoline-1,3-dione)
CID 247817
2-(Oxolan-2-ylmethyl)isoindole-1,3-dione
CID 2883188
Propyl 2-(1,3-dioxoisoindolin-2-yl)acetate
CID 648307
N-Phthaloylglycine tert.-butyl ester
CID 239996
Methyl 2-phthalimidoacetate
CID 277790
2-Phthalimidoacetaldehyde Diethyl Acetal
CID 315286
cyanomethyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 2397430

Frequently Asked Questions

What is the IUPAC name of [1-(1,3-dioxoisoindol-2-yl)-3-phenylpropan-2-yl] acetate?
The IUPAC name of [1-(1,3-dioxoisoindol-2-yl)-3-phenylpropan-2-yl] acetate (CID 135006109) is [1-(1,3-dioxoisoindol-2-yl)-3-phenylpropan-2-yl] acetate.
What is the SMILES notation for [1-(1,3-dioxoisoindol-2-yl)-3-phenylpropan-2-yl] acetate?
The canonical SMILES for [1-(1,3-dioxoisoindol-2-yl)-3-phenylpropan-2-yl] acetate is CC(=O)OC(Cc1ccccc1)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of [1-(1,3-dioxoisoindol-2-yl)-3-phenylpropan-2-yl] acetate?
The InChIKey is IZMAQQLJICCNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-13(21)24-15(11-14-7-3-2-4-8-14)12-20-18(22)16-9-5-6-10-17(16)19(20)23/h2-10,15H,11-12H2,1H3.
What are the key properties of [1-(1,3-dioxoisoindol-2-yl)-3-phenylpropan-2-yl] acetate?
[1-(1,3-dioxoisoindol-2-yl)-3-phenylpropan-2-yl] acetate has a molecular weight of 323.35 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,3-dioxoisoindol-2-yl)-3-phenylpropan-2-yl] acetate is sourced from PubChem (CID 135006109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).