4-[3-(2-hydroxyphenyl)propylamino]isoindole-1,3-dione

C17H16N2O3 — CID 146627897

IUPAC4-[3-(2-hydroxyphenyl)propylamino]isoindole-1,3-dione
SMILESO=C1NC(=O)c2c(NCCCc3ccccc3O)cccc21
InChIInChI=1S/C17H16N2O3/c20-14-9-2-1-5-11(14)6-4-10-18-13-8-3-7-12-15(13)17(22)19-16(12)21/h1-3,5,7-9,18,20H,4,6,10H2,(H,19,21,22)
InChIKeySNSQGKXXZRXXJB-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.32
Rot. Bonds5

About 4-[3-(2-hydroxyphenyl)propylamino]isoindole-1,3-dione

4-[3-(2-hydroxyphenyl)propylamino]isoindole-1,3-dione (PubChem CID 146627897) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 4-[3-(2-hydroxyphenyl)propylamino]isoindole-1,3-dione.

Molecular Properties

Compound Name4-[3-(2-hydroxyphenyl)propylamino]isoindole-1,3-dione
PubChem CID146627897
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name4-[3-(2-hydroxyphenyl)propylamino]isoindole-1,3-dione
SMILESO=C1NC(=O)c2c(NCCCc3ccccc3O)cccc21
InChIInChI=1S/C17H16N2O3/c20-14-9-2-1-5-11(14)6-4-10-18-13-8-3-7-12-15(13)17(22)19-16(12)21/h1-3,5,7-9,18,20H,4,6,10H2,(H,19,21,22)
InChIKeySNSQGKXXZRXXJB-UHFFFAOYSA-N
XLogP2.32
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-hydroxyphenyl)propylamino]isoindole-1,3-dione?
The IUPAC name of 4-[3-(2-hydroxyphenyl)propylamino]isoindole-1,3-dione (CID 146627897) is 4-[3-(2-hydroxyphenyl)propylamino]isoindole-1,3-dione.
What is the SMILES notation for 4-[3-(2-hydroxyphenyl)propylamino]isoindole-1,3-dione?
The canonical SMILES for 4-[3-(2-hydroxyphenyl)propylamino]isoindole-1,3-dione is O=C1NC(=O)c2c(NCCCc3ccccc3O)cccc21.
What is the InChIKey of 4-[3-(2-hydroxyphenyl)propylamino]isoindole-1,3-dione?
The InChIKey is SNSQGKXXZRXXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c20-14-9-2-1-5-11(14)6-4-10-18-13-8-3-7-12-15(13)17(22)19-16(12)21/h1-3,5,7-9,18,20H,4,6,10H2,(H,19,21,22).
What are the key properties of 4-[3-(2-hydroxyphenyl)propylamino]isoindole-1,3-dione?
4-[3-(2-hydroxyphenyl)propylamino]isoindole-1,3-dione has a molecular weight of 296.33 g/mol, XLogP of 2.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-hydroxyphenyl)propylamino]isoindole-1,3-dione is sourced from PubChem (CID 146627897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).