5-(3-aminophenoxy)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione

C19H18N2O4 — CID 3629261

IUPAC5-(3-aminophenoxy)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione
SMILESNc1cccc(Oc2ccc3c(c2)C(=O)N(CC2CCCO2)C3=O)c1
InChIInChI=1S/C19H18N2O4/c20-12-3-1-4-13(9-12)25-14-6-7-16-17(10-14)19(23)21(18(16)22)11-15-5-2-8-24-15/h1,3-4,6-7,9-10,15H,2,5,8,11,20H2
InChIKeyNWXADOSEPZMACW-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.84
Rot. Bonds4

About 5-(3-aminophenoxy)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione

5-(3-aminophenoxy)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione (PubChem CID 3629261) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 5-(3-aminophenoxy)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-(3-aminophenoxy)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione
PubChem CID3629261
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name5-(3-aminophenoxy)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione
SMILESNc1cccc(Oc2ccc3c(c2)C(=O)N(CC2CCCO2)C3=O)c1
InChIInChI=1S/C19H18N2O4/c20-12-3-1-4-13(9-12)25-14-6-7-16-17(10-14)19(23)21(18(16)22)11-15-5-2-8-24-15/h1,3-4,6-7,9-10,15H,2,5,8,11,20H2
InChIKeyNWXADOSEPZMACW-UHFFFAOYSA-N
XLogP2.84
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Amphotalide
CID 71806
2-[2-(4-Aminophenyl)ethyl]-4,5-bispentyloxy-2,3-dihydroisoindol-1-one
CID 19363234
2-[4-(dimethylamino)phenyl]-5-(2-fluoroethoxy)-3H-isoindol-1-one
CID 25242570
5-(2-Fluoroethoxy)-2-[4-(methylamino)phenyl]isoindole-1,3-dione
CID 25266309
2-[4-(Dimethylamino)phenyl]-5-(2-fluoroethoxy)isoindole-1,3-dione
CID 25266310
2-(4-Aminophenyl)-5-(3-fluoropropoxy)isoindole-1,3-dione
CID 25266311
5-(3-Fluoropropoxy)-2-[4-(methylamino)phenyl]isoindole-1,3-dione
CID 25266312
5-(2-fluoroethoxy)-2-[4-(methylamino)phenyl]-3H-isoindol-1-one
CID 25266341
2-(4-aminophenyl)-5-(2-fluoroethoxy)-3H-isoindol-1-one
CID 25267381
2-(4-aminophenyl)-5-(3-fluoropropoxy)-3H-isoindol-1-one
CID 25267382
5-(3-fluoropropoxy)-2-[4-(methylamino)phenyl]-3H-isoindol-1-one
CID 25267383
2-[4-(dimethylamino)phenyl]-5-(3-fluoropropoxy)-3H-isoindol-1-one
CID 25267384

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminophenoxy)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione?
The IUPAC name of 5-(3-aminophenoxy)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione (CID 3629261) is 5-(3-aminophenoxy)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione.
What is the SMILES notation for 5-(3-aminophenoxy)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione?
The canonical SMILES for 5-(3-aminophenoxy)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione is Nc1cccc(Oc2ccc3c(c2)C(=O)N(CC2CCCO2)C3=O)c1.
What is the InChIKey of 5-(3-aminophenoxy)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione?
The InChIKey is NWXADOSEPZMACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c20-12-3-1-4-13(9-12)25-14-6-7-16-17(10-14)19(23)21(18(16)22)11-15-5-2-8-24-15/h1,3-4,6-7,9-10,15H,2,5,8,11,20H2.
What are the key properties of 5-(3-aminophenoxy)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione?
5-(3-aminophenoxy)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione has a molecular weight of 338.36 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminophenoxy)-2-(oxolan-2-ylmethyl)isoindole-1,3-dione is sourced from PubChem (CID 3629261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).