4-(1,3-dioxoisoindol-2-yl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]butanamide

C19H17N3O4 — CID 135540889

IUPAC4-(1,3-dioxoisoindol-2-yl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]butanamide
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)N/N=C\c1ccccc1O
InChIInChI=1S/C19H17N3O4/c23-16-9-4-1-6-13(16)12-20-21-17(24)10-5-11-22-18(25)14-7-2-3-8-15(14)19(22)26/h1-4,6-9,12,23H,5,10-11H2,(H,21,24)/b20-12-
InChIKeyUBJWMXJLLSWCKZ-NDENLUEZSA-N
MW351.36 g/mol
LogP1.92
Rot. Bonds6

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

4-(1,3-dioxoisoindol-2-yl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]butanamide (PubChem CID 135540889) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is 4-(1,3-dioxoisoindol-2-yl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]butanamide.

Molecular Properties

Compound Name4-(1,3-dioxoisoindol-2-yl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]butanamide
PubChem CID135540889
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name4-(1,3-dioxoisoindol-2-yl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]butanamide
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)N/N=C\c1ccccc1O
InChIInChI=1S/C19H17N3O4/c23-16-9-4-1-6-13(16)12-20-21-17(24)10-5-11-22-18(25)14-7-2-3-8-15(14)19(22)26/h1-4,6-9,12,23H,5,10-11H2,(H,21,24)/b20-12-
InChIKeyUBJWMXJLLSWCKZ-NDENLUEZSA-N
XLogP1.92
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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-(1,3-dioxoisoindol-2-yl)-2-hydroxybenzamide
CID 871573
N-(5-{N'-[(E)-(2-Hydroxyphenyl)methylidene]hydrazinecarbonyl}pentyl)benzamide
CID 135517017
3-(4-hydroxyphenyl)-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanohydrazide
CID 4254388
2-[(3,4-dihydroxybenzylidene)amino]-1H-isoindole-1,3(2H)-dione
CID 135401392
N-(5-Bromosalicylideneamino)-phthalimide
CID 135448417
(E)-N-(6-(2-(1-(2-hydroxyphenyl)ethylidene)hydrazinyl)-6-oxohexyl)benzamide
CID 135498008
4-(1,3-dioxoisoindol-2-yl)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]butanamide
CID 135540890
4-(1,3-dioxoisoindol-2-yl)-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]butanamide
CID 135540892
4-(1,3-dioxoisoindol-2-yl)-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]butanamide
CID 135540895
Salicylidene o-toluic hydrazone
CID 135443060
N-{2-[2-(2-hydroxybenzylidene)hydrazino]-2-oxoethyl}benzamide
CID 135491266
2-[(E)-(4-hydroxyphenyl)methyleneamino]isoindoline-1,3-dione
CID 135452548

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]butanamide?
The IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]butanamide (CID 135540889) is 4-(1,3-dioxoisoindol-2-yl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]butanamide.
What is the SMILES notation for 4-(1,3-dioxoisoindol-2-yl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]butanamide?
The canonical SMILES for 4-(1,3-dioxoisoindol-2-yl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]butanamide is O=C(CCCN1C(=O)c2ccccc2C1=O)N/N=C\c1ccccc1O.
What is the InChIKey of 4-(1,3-dioxoisoindol-2-yl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]butanamide?
The InChIKey is UBJWMXJLLSWCKZ-NDENLUEZSA-N. The full InChI is InChI=1S/C19H17N3O4/c23-16-9-4-1-6-13(16)12-20-21-17(24)10-5-11-22-18(25)14-7-2-3-8-15(14)19(22)26/h1-4,6-9,12,23H,5,10-11H2,(H,21,24)/b20-12-.
What are the key properties of 4-(1,3-dioxoisoindol-2-yl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]butanamide?
4-(1,3-dioxoisoindol-2-yl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]butanamide has a molecular weight of 351.36 g/mol, XLogP of 1.92, 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-[(Z)-(2-hydroxyphenyl)methylideneamino]butanamide is sourced from PubChem (CID 135540889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).