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

C20H19N3O4 — CID 135540890

IUPAC4-(1,3-dioxoisoindol-2-yl)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]butanamide
SMILESC/C(=N/NC(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccccc1O
InChIInChI=1S/C20H19N3O4/c1-13(14-7-4-5-10-17(14)24)21-22-18(25)11-6-12-23-19(26)15-8-2-3-9-16(15)20(23)27/h2-5,7-10,24H,6,11-12H2,1H3,(H,22,25)/b21-13-
InChIKeyOMHRKKOTEFENDS-BKUYFWCQSA-N
MW365.39 g/mol
LogP2.31
Rot. Bonds6

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

4-(1,3-dioxoisoindol-2-yl)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]butanamide (PubChem CID 135540890) 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-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]butanamide.

Molecular Properties

Compound Name4-(1,3-dioxoisoindol-2-yl)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]butanamide
PubChem CID135540890
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name4-(1,3-dioxoisoindol-2-yl)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]butanamide
SMILESC/C(=N/NC(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccccc1O
InChIInChI=1S/C20H19N3O4/c1-13(14-7-4-5-10-17(14)24)21-22-18(25)11-6-12-23-19(26)15-8-2-3-9-16(15)20(23)27/h2-5,7-10,24H,6,11-12H2,1H3,(H,22,25)/b21-13-
InChIKeyOMHRKKOTEFENDS-BKUYFWCQSA-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_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

4-[(4-hydroxyphenyl)methyl]-2-[[(2R)-1-methylpyrrolidin-2-yl]methyl]phthalazin-1-one
CID 52937527
4-(3,4-dihydroisoquinolin-2(1H)-ylmethyl)-N'-[(1E)-1-(2-hydroxyphenyl)ethylidene]benzohydrazide
CID 135472759
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-(5-(2-Hydroxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazole-1-carbonyl)benzoic acid
CID 3350480
(5-(2-Hydroxyphenyl)-3-methyl-4,5-dihydropyrazol-1-yl)(phenyl)methanone
CID 53233129
(E)-N-(6-(2-(1-(2-hydroxyphenyl)ethylidene)hydrazinyl)-6-oxohexyl)benzamide
CID 135498008
4-(1,3-dioxoisoindol-2-yl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]butanamide
CID 135540889
4-(1,3-dioxoisoindol-2-yl)-N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]butanamide
CID 135540895
(5-(2-Hydroxyphenyl)-3-methyl-4,5-dihydropyrazol-1-yl)o-tolyl)methanone
CID 54583764
1-N-butyl-3-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzene-1,3-dicarboxamide
CID 155517388
3-N,3-N-diethyl-1-N-[(E)-(7-hydroxy-2,3-dihydroinden-1-ylidene)amino]benzene-1,3-dicarboxamide
CID 155568039

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]butanamide?
The IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]butanamide (CID 135540890) is 4-(1,3-dioxoisoindol-2-yl)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]butanamide.
What is the SMILES notation for 4-(1,3-dioxoisoindol-2-yl)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]butanamide?
The canonical SMILES for 4-(1,3-dioxoisoindol-2-yl)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]butanamide is C/C(=N/NC(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccccc1O.
What is the InChIKey of 4-(1,3-dioxoisoindol-2-yl)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]butanamide?
The InChIKey is OMHRKKOTEFENDS-BKUYFWCQSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-13(14-7-4-5-10-17(14)24)21-22-18(25)11-6-12-23-19(26)15-8-2-3-9-16(15)20(23)27/h2-5,7-10,24H,6,11-12H2,1H3,(H,22,25)/b21-13-.
What are the key properties of 4-(1,3-dioxoisoindol-2-yl)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]butanamide?
4-(1,3-dioxoisoindol-2-yl)-N-[(Z)-1-(2-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-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]butanamide is sourced from PubChem (CID 135540890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).