2-[3-[N-(2-hydroxyethyl)anilino]propyl]isoindole-1,3-dione

C19H20N2O3 — CID 110881483

IUPAC2-[3-[N-(2-hydroxyethyl)anilino]propyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCN(CCO)c1ccccc1
InChIInChI=1S/C19H20N2O3/c22-14-13-20(15-7-2-1-3-8-15)11-6-12-21-18(23)16-9-4-5-10-17(16)19(21)24/h1-5,7-10,22H,6,11-14H2
InChIKeyOVGYRPUAGCNBJA-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.17
Rot. Bonds7

About 2-[3-[N-(2-hydroxyethyl)anilino]propyl]isoindole-1,3-dione

2-[3-[N-(2-hydroxyethyl)anilino]propyl]isoindole-1,3-dione (PubChem CID 110881483) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-[3-[N-(2-hydroxyethyl)anilino]propyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-[N-(2-hydroxyethyl)anilino]propyl]isoindole-1,3-dione
PubChem CID110881483
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name2-[3-[N-(2-hydroxyethyl)anilino]propyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCN(CCO)c1ccccc1
InChIInChI=1S/C19H20N2O3/c22-14-13-20(15-7-2-1-3-8-15)11-6-12-21-18(23)16-9-4-5-10-17(16)19(21)24/h1-5,7-10,22H,6,11-14H2
InChIKeyOVGYRPUAGCNBJA-UHFFFAOYSA-N
XLogP2.17
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.17
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

bis[3-(1,3-dioxoisoindol-2-yl)propyl]carbamic acid
CID 134307088
2-(4-hydroxybutyl)isoindole-1,3-dione;2-(3-hydroxypropyl)isoindole-1,3-dione
CID 21468228
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
2-[N-(2-hydroxyethyl)anilino]ethanol;hydrobromide
CID 21388011
N,N-bis[3-(1,3-dioxoisoindol-2-yl)propyl]benzamide
CID 10577175
benzyl-[3-(1,3-dioxoisoindol-2-yl)propyl]carbamic acid
CID 57370580
3-[3-(1,3-dioxoisoindol-2-yl)propyl-methylamino]propanoic acid
CID 82224048
2-[3-[bis(trideuteriomethyl)amino]propyl]isoindole-1,3-dione
CID 89296361
2-[2-(3-hydroxypropylsulfanyl)ethyl]isoindole-1,3-dione
CID 66115003
2-[3-[2-[bis(2-hydroxyethyl)amino]ethyl-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]amino]propyl]benzo[de]isoquinoline-1,3-dione
CID 44553380
tetrakis[4-(1,3-dioxoisoindol-2-yl)butyl]azanium
CID 10056713
6-(1,3-dioxoisoindol-2-yl)hexanoic acid;manganese
CID 174657326

Frequently Asked Questions

What is the IUPAC name of 2-[3-[N-(2-hydroxyethyl)anilino]propyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-[N-(2-hydroxyethyl)anilino]propyl]isoindole-1,3-dione (CID 110881483) is 2-[3-[N-(2-hydroxyethyl)anilino]propyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-[N-(2-hydroxyethyl)anilino]propyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-[N-(2-hydroxyethyl)anilino]propyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCCN(CCO)c1ccccc1.
What is the InChIKey of 2-[3-[N-(2-hydroxyethyl)anilino]propyl]isoindole-1,3-dione?
The InChIKey is OVGYRPUAGCNBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c22-14-13-20(15-7-2-1-3-8-15)11-6-12-21-18(23)16-9-4-5-10-17(16)19(21)24/h1-5,7-10,22H,6,11-14H2.
What are the key properties of 2-[3-[N-(2-hydroxyethyl)anilino]propyl]isoindole-1,3-dione?
2-[3-[N-(2-hydroxyethyl)anilino]propyl]isoindole-1,3-dione has a molecular weight of 324.38 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[N-(2-hydroxyethyl)anilino]propyl]isoindole-1,3-dione is sourced from PubChem (CID 110881483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).