(1,3-dioxoisoindol-2-yl)methyl 3-(1H-indol-3-yl)propanoate

C20H16N2O4 — CID 5207428

IUPAC(1,3-dioxoisoindol-2-yl)methyl 3-(1H-indol-3-yl)propanoate
SMILESO=C(CCc1c[nH]c2ccccc12)OCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H16N2O4/c23-18(10-9-13-11-21-17-8-4-3-5-14(13)17)26-12-22-19(24)15-6-1-2-7-16(15)20(22)25/h1-8,11,21H,9-10,12H2
InChIKeyCGBPJVBSUDKFTJ-UHFFFAOYSA-N
MW348.36 g/mol
LogP2.90
Rot. Bonds5

About (1,3-dioxoisoindol-2-yl)methyl 3-(1H-indol-3-yl)propanoate

(1,3-dioxoisoindol-2-yl)methyl 3-(1H-indol-3-yl)propanoate (PubChem CID 5207428) has the molecular formula C20H16N2O4 and a molecular weight of 348.36 g/mol. Its IUPAC name is (1,3-dioxoisoindol-2-yl)methyl 3-(1H-indol-3-yl)propanoate.

Molecular Properties

Compound Name(1,3-dioxoisoindol-2-yl)methyl 3-(1H-indol-3-yl)propanoate
PubChem CID5207428
Molecular FormulaC20H16N2O4
Molecular Weight348.36 g/mol
Exact Mass348.11
IUPAC Name(1,3-dioxoisoindol-2-yl)methyl 3-(1H-indol-3-yl)propanoate
SMILESO=C(CCc1c[nH]c2ccccc12)OCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H16N2O4/c23-18(10-9-13-11-21-17-8-4-3-5-14(13)17)26-12-22-19(24)15-6-1-2-7-16(15)20(22)25/h1-8,11,21H,9-10,12H2
InChIKeyCGBPJVBSUDKFTJ-UHFFFAOYSA-N
XLogP2.90
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1,3-dioxoisoindol-2-yl)methyl 1H-indole-3-carboxylate
CID 7517850
2-[3-(1H-indol-3-yl)propyl]isoindole-1,3-dione
CID 906585
2-(1H-indol-3-ylmethyl)isoindole-1,3-dione
CID 12504745
pentyl 3-(1H-indol-3-yl)propanoate
CID 70811312
2-(2,6-dichlorophenoxy)ethyl 3-(1H-indol-3-yl)propanoate
CID 2472474
[2-(4-fluorophenyl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 2146219
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 2577795
4-O-[(1,3-dioxoisoindol-2-yl)methyl] 1-O-[2-(2-methylpropanoyloxy)ethyl] butanedioate
CID 138566980
2-(1,3-dioxoisoindol-2-yl)-3-(1H-indol-3-yl)propanamide
CID 69397355
3-(4-fluorophenoxy)propyl 3-(1H-indol-3-yl)propanoate
CID 7169174
3-(1H-indol-3-yl)propanoyloxidanium
CID 142492757
ethyl 4-(1H-indol-3-yl)butanoate;hydrochloride
CID 67834075

Frequently Asked Questions

What is the IUPAC name of (1,3-dioxoisoindol-2-yl)methyl 3-(1H-indol-3-yl)propanoate?
The IUPAC name of (1,3-dioxoisoindol-2-yl)methyl 3-(1H-indol-3-yl)propanoate (CID 5207428) is (1,3-dioxoisoindol-2-yl)methyl 3-(1H-indol-3-yl)propanoate.
What is the SMILES notation for (1,3-dioxoisoindol-2-yl)methyl 3-(1H-indol-3-yl)propanoate?
The canonical SMILES for (1,3-dioxoisoindol-2-yl)methyl 3-(1H-indol-3-yl)propanoate is O=C(CCc1c[nH]c2ccccc12)OCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of (1,3-dioxoisoindol-2-yl)methyl 3-(1H-indol-3-yl)propanoate?
The InChIKey is CGBPJVBSUDKFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4/c23-18(10-9-13-11-21-17-8-4-3-5-14(13)17)26-12-22-19(24)15-6-1-2-7-16(15)20(22)25/h1-8,11,21H,9-10,12H2.
What are the key properties of (1,3-dioxoisoindol-2-yl)methyl 3-(1H-indol-3-yl)propanoate?
(1,3-dioxoisoindol-2-yl)methyl 3-(1H-indol-3-yl)propanoate has a molecular weight of 348.36 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dioxoisoindol-2-yl)methyl 3-(1H-indol-3-yl)propanoate is sourced from PubChem (CID 5207428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).