4-(1,3-dioxoisoindol-2-yl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]butanamide

C20H19N3O4 — CID 135855125

IUPAC4-(1,3-dioxoisoindol-2-yl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]butanamide
SMILESC/C(=N\NC(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccc(O)cc1
InChIInChI=1S/C20H19N3O4/c1-13(14-8-10-15(24)11-9-14)21-22-18(25)7-4-12-23-19(26)16-5-2-3-6-17(16)20(23)27/h2-3,5-6,8-11,24H,4,7,12H2,1H3,(H,22,25)/b21-13+
InChIKeyREYQVPUCLIUNDY-FYJGNVAPSA-N
MW365.39 g/mol
LogP2.31
Rot. Bonds6

About 4-(1,3-dioxoisoindol-2-yl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]butanamide

4-(1,3-dioxoisoindol-2-yl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]butanamide (PubChem CID 135855125) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is 4-(1,3-dioxoisoindol-2-yl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]butanamide.

Molecular Properties

Compound Name4-(1,3-dioxoisoindol-2-yl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]butanamide
PubChem CID135855125
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name4-(1,3-dioxoisoindol-2-yl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]butanamide
SMILESC/C(=N\NC(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccc(O)cc1
InChIInChI=1S/C20H19N3O4/c1-13(14-8-10-15(24)11-9-14)21-22-18(25)7-4-12-23-19(26)16-5-2-3-6-17(16)20(23)27/h2-3,5-6,8-11,24H,4,7,12H2,1H3,(H,22,25)/b21-13+
InChIKeyREYQVPUCLIUNDY-FYJGNVAPSA-N
XLogP2.31
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.31
H-Bond Donors ≤ 52
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]pentanamide
CID 135799262
3-carbazol-9-yl-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]propanamide
CID 135438871
3-carbazol-9-yl-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]propanamide
CID 136913813
N-(2-acetamidoethyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 110756142
N-(4-acetylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 2303121
N,N'-bis(1-phenylethylideneamino)octanediamide
CID 4517497
N'-[(Z)-[1-amino-3-(1,3-dioxoisoindol-2-yl)propylidene]amino]pentanediamide
CID 130439754
N-(benzhydrylideneamino)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 9095307
N-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]formamide
CID 56766373
N-[(E)-1-(4-phenylphenyl)ethylideneamino]octanamide
CID 6163036
N'-[4-(1,3-dioxoisoindol-2-yl)butanoyl]-4-fluorobenzohydrazide
CID 2598564
[5-[2-[1-amino-3-(1,3-dioxoisoindol-2-yl)propylidene]hydrazinyl]-5-oxopentanoyl]azanium
CID 147032340

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]butanamide?
The IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]butanamide (CID 135855125) is 4-(1,3-dioxoisoindol-2-yl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]butanamide.
What is the SMILES notation for 4-(1,3-dioxoisoindol-2-yl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]butanamide?
The canonical SMILES for 4-(1,3-dioxoisoindol-2-yl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]butanamide is C/C(=N\NC(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccc(O)cc1.
What is the InChIKey of 4-(1,3-dioxoisoindol-2-yl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]butanamide?
The InChIKey is REYQVPUCLIUNDY-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-13(14-8-10-15(24)11-9-14)21-22-18(25)7-4-12-23-19(26)16-5-2-3-6-17(16)20(23)27/h2-3,5-6,8-11,24H,4,7,12H2,1H3,(H,22,25)/b21-13+.
What are the key properties of 4-(1,3-dioxoisoindol-2-yl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]butanamide?
4-(1,3-dioxoisoindol-2-yl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]butanamide has a molecular weight of 365.39 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxoisoindol-2-yl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]butanamide is sourced from PubChem (CID 135855125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).