2-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]isoindole-1,3-dione

C17H14N2O4 — CID 135448425

IUPAC2-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]isoindole-1,3-dione
SMILESCCOc1cc(/C=N/N2C(=O)c3ccccc3C2=O)ccc1O
InChIInChI=1S/C17H14N2O4/c1-2-23-15-9-11(7-8-14(15)20)10-18-19-16(21)12-5-3-4-6-13(12)17(19)22/h3-10,20H,2H2,1H3/b18-10+
InChIKeyNLEVUNIUAYJYHF-VCHYOVAHSA-N
MW310.31 g/mol
LogP2.42
Rot. Bonds4

About 2-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]isoindole-1,3-dione

2-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]isoindole-1,3-dione (PubChem CID 135448425) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is 2-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]isoindole-1,3-dione
PubChem CID135448425
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Name2-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]isoindole-1,3-dione
SMILESCCOc1cc(/C=N/N2C(=O)c3ccccc3C2=O)ccc1O
InChIInChI=1S/C17H14N2O4/c1-2-23-15-9-11(7-8-14(15)20)10-18-19-16(21)12-5-3-4-6-13(12)17(19)22/h3-10,20H,2H2,1H3/b18-10+
InChIKeyNLEVUNIUAYJYHF-VCHYOVAHSA-N
XLogP2.42
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]isoindole-1,3-dione with MolForge

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Related Compounds

2-[(4-methoxybenzylidene)amino]-1H-isoindole-1,3(2H)-dione
CID 6861406
N-(Veratrylideneamino)-phthalimide
CID 6861638
2-[(3,4-dihydroxybenzylidene)amino]-1H-isoindole-1,3(2H)-dione
CID 135401392
2-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]isoindole-1,3-dione
CID 135448416
N'-(3-Ethoxy-4-hydroxybenzylidene)-4-fluorobenzohydrazide
CID 135547416
2-(1,3-Benzodioxol-5-ylmethylideneamino)isoindole-1,3-dione
CID 280596
2-{[(1E)-(4-hydroxy-3-methoxyphenyl)methylene]amino}-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3-dione
CID 135446703
4-(1,3-dioxoisoindol-2-yl)-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]butanamide
CID 135540892
1H-Isoindole-1,3(2H)-dione, 2-(((3-methoxyphenyl)methylene)amino)-
CID 6898976
2-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzo[de]isoquinoline-1,3-dione
CID 135576153
N-[(6,7-Diethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phthalimide
CID 1046101
2-[(E)-1,3-benzodioxol-5-ylmethylideneamino]isoindole-1,3-dione
CID 6861639

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]isoindole-1,3-dione?
The IUPAC name of 2-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]isoindole-1,3-dione (CID 135448425) is 2-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]isoindole-1,3-dione.
What is the SMILES notation for 2-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]isoindole-1,3-dione?
The canonical SMILES for 2-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]isoindole-1,3-dione is CCOc1cc(/C=N/N2C(=O)c3ccccc3C2=O)ccc1O.
What is the InChIKey of 2-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]isoindole-1,3-dione?
The InChIKey is NLEVUNIUAYJYHF-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-2-23-15-9-11(7-8-14(15)20)10-18-19-16(21)12-5-3-4-6-13(12)17(19)22/h3-10,20H,2H2,1H3/b18-10+.
What are the key properties of 2-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]isoindole-1,3-dione?
2-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]isoindole-1,3-dione has a molecular weight of 310.31 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]isoindole-1,3-dione is sourced from PubChem (CID 135448425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).