2-[5-(4-amino-2-hydroxyphenoxy)pentyl]isoindole-1,3-dione

C19H20N2O4 — CID 3030015

IUPAC2-[5-(4-amino-2-hydroxyphenoxy)pentyl]isoindole-1,3-dione
SMILESNc1ccc(OCCCCCN2C(=O)c3ccccc3C2=O)c(O)c1
InChIInChI=1S/C19H20N2O4/c20-13-8-9-17(16(22)12-13)25-11-5-1-4-10-21-18(23)14-6-2-3-7-15(14)19(21)24/h2-3,6-9,12,22H,1,4-5,10-11,20H2
InChIKeyJZFQUFXHPWIMTB-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.82
Rot. Bonds7

About 2-[5-(4-amino-2-hydroxyphenoxy)pentyl]isoindole-1,3-dione

2-[5-(4-amino-2-hydroxyphenoxy)pentyl]isoindole-1,3-dione (PubChem CID 3030015) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-[5-(4-amino-2-hydroxyphenoxy)pentyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[5-(4-amino-2-hydroxyphenoxy)pentyl]isoindole-1,3-dione
PubChem CID3030015
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name2-[5-(4-amino-2-hydroxyphenoxy)pentyl]isoindole-1,3-dione
SMILESNc1ccc(OCCCCCN2C(=O)c3ccccc3C2=O)c(O)c1
InChIInChI=1S/C19H20N2O4/c20-13-8-9-17(16(22)12-13)25-11-5-1-4-10-21-18(23)14-6-2-3-7-15(14)19(21)24/h2-3,6-9,12,22H,1,4-5,10-11,20H2
InChIKeyJZFQUFXHPWIMTB-UHFFFAOYSA-N
XLogP2.82
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[5-(4-amino-2-hydroxyphenoxy)pentyl]isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-(2-hydroxy-4-nitrophenoxy)pentyl]isoindole-1,3-dione
CID 154108109
3-[4-(1,3-dioxoisoindol-2-yl)butoxy]-4-methoxybenzoic acid
CID 71561776
2-[5-(2-nitrophenoxy)pentyl]isoindole-1,3-dione
CID 90431397
3-[3-(1,3-dioxoisoindol-2-yl)propoxy]-4-methoxybenzoic acid
CID 71561775
2-[12-(4-methyl-2-phenylphenoxy)dodecyl]isoindole-1,3-dione
CID 70494668
2-[10-[(5,11,17,23-tetraamino-26,27,28-tripropoxy-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl)oxy]decyl]isoindole-1,3-dione
CID 11593167
2-[4-(2-acetylphenoxy)butyl]isoindole-1,3-dione
CID 112788844
2-[4-(2-chloro-4-fluorophenoxy)butyl]isoindole-1,3-dione
CID 112787288
2-[4-(2-bromo-4-fluorophenoxy)butyl]isoindole-1,3-dione
CID 112788012
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
2-(6-methoxyhexyl)isoindole-1,3-dione
CID 14947433
2-[4-(4-bromo-2-methoxyphenoxy)butyl]isoindole-1,3-dione
CID 155920686

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-amino-2-hydroxyphenoxy)pentyl]isoindole-1,3-dione?
The IUPAC name of 2-[5-(4-amino-2-hydroxyphenoxy)pentyl]isoindole-1,3-dione (CID 3030015) is 2-[5-(4-amino-2-hydroxyphenoxy)pentyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[5-(4-amino-2-hydroxyphenoxy)pentyl]isoindole-1,3-dione?
The canonical SMILES for 2-[5-(4-amino-2-hydroxyphenoxy)pentyl]isoindole-1,3-dione is Nc1ccc(OCCCCCN2C(=O)c3ccccc3C2=O)c(O)c1.
What is the InChIKey of 2-[5-(4-amino-2-hydroxyphenoxy)pentyl]isoindole-1,3-dione?
The InChIKey is JZFQUFXHPWIMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c20-13-8-9-17(16(22)12-13)25-11-5-1-4-10-21-18(23)14-6-2-3-7-15(14)19(21)24/h2-3,6-9,12,22H,1,4-5,10-11,20H2.
What are the key properties of 2-[5-(4-amino-2-hydroxyphenoxy)pentyl]isoindole-1,3-dione?
2-[5-(4-amino-2-hydroxyphenoxy)pentyl]isoindole-1,3-dione has a molecular weight of 340.38 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-amino-2-hydroxyphenoxy)pentyl]isoindole-1,3-dione is sourced from PubChem (CID 3030015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).