2-(1,3-dioxoisoindol-2-yl)-N-[(Z)-(2-hydroxy-4-prop-2-enylphenyl)methylideneamino]acetamide

C20H17N3O4 — CID 136896451

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[(Z)-(2-hydroxy-4-prop-2-enylphenyl)methylideneamino]acetamide
SMILESC=CCc1ccc(/C=N\NC(=O)CN2C(=O)c3ccccc3C2=O)c(O)c1
InChIInChI=1S/C20H17N3O4/c1-2-5-13-8-9-14(17(24)10-13)11-21-22-18(25)12-23-19(26)15-6-3-4-7-16(15)20(23)27/h2-4,6-11,24H,1,5,12H2,(H,22,25)/b21-11-
InChIKeyDZRDLNRWVSPKQV-NHDPSOOVSA-N
MW363.37 g/mol
LogP1.87
Rot. Bonds6

About 2-(1,3-dioxoisoindol-2-yl)-N-[(Z)-(2-hydroxy-4-prop-2-enylphenyl)methylideneamino]acetamide

2-(1,3-dioxoisoindol-2-yl)-N-[(Z)-(2-hydroxy-4-prop-2-enylphenyl)methylideneamino]acetamide (PubChem CID 136896451) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[(Z)-(2-hydroxy-4-prop-2-enylphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[(Z)-(2-hydroxy-4-prop-2-enylphenyl)methylideneamino]acetamide
PubChem CID136896451
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[(Z)-(2-hydroxy-4-prop-2-enylphenyl)methylideneamino]acetamide
SMILESC=CCc1ccc(/C=N\NC(=O)CN2C(=O)c3ccccc3C2=O)c(O)c1
InChIInChI=1S/C20H17N3O4/c1-2-5-13-8-9-14(17(24)10-13)11-21-22-18(25)12-23-19(26)15-6-3-4-7-16(15)20(23)27/h2-4,6-11,24H,1,5,12H2,(H,22,25)/b21-11-
InChIKeyDZRDLNRWVSPKQV-NHDPSOOVSA-N
XLogP1.87
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 51.87
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-carbazol-9-yl-N-[(Z)-(2-hydroxy-4-prop-2-enylphenyl)methylideneamino]propanamide
CID 136847275
2-(1,3-dioxoisoindol-2-yl)-N-[(E)-(3-methoxyphenyl)methylideneamino]acetamide
CID 73347713
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide
CID 135777384
N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide
CID 137157575
(1,3-dioxoisoindol-2-yl)methyl N-[(E)-(2-hydroxyphenyl)methylideneamino]carbamodithioate
CID 135572066
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methylphenyl)acetamide
CID 135627903
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[[2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]amino]acetamide
CID 177478603
N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]propanediamide
CID 135648812
2-(2-oxobenzo[cd]indol-1-yl)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 124553196
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N'-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]butanediamide
CID 135458919
N-[(Z)-(2-hydroxyphenyl)methylideneamino]undec-10-enamide
CID 136802207
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide
CID 135635808

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[(Z)-(2-hydroxy-4-prop-2-enylphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[(Z)-(2-hydroxy-4-prop-2-enylphenyl)methylideneamino]acetamide (CID 136896451) is 2-(1,3-dioxoisoindol-2-yl)-N-[(Z)-(2-hydroxy-4-prop-2-enylphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[(Z)-(2-hydroxy-4-prop-2-enylphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[(Z)-(2-hydroxy-4-prop-2-enylphenyl)methylideneamino]acetamide is C=CCc1ccc(/C=N\NC(=O)CN2C(=O)c3ccccc3C2=O)c(O)c1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[(Z)-(2-hydroxy-4-prop-2-enylphenyl)methylideneamino]acetamide?
The InChIKey is DZRDLNRWVSPKQV-NHDPSOOVSA-N. The full InChI is InChI=1S/C20H17N3O4/c1-2-5-13-8-9-14(17(24)10-13)11-21-22-18(25)12-23-19(26)15-6-3-4-7-16(15)20(23)27/h2-4,6-11,24H,1,5,12H2,(H,22,25)/b21-11-.
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[(Z)-(2-hydroxy-4-prop-2-enylphenyl)methylideneamino]acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-[(Z)-(2-hydroxy-4-prop-2-enylphenyl)methylideneamino]acetamide has a molecular weight of 363.37 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-[(Z)-(2-hydroxy-4-prop-2-enylphenyl)methylideneamino]acetamide is sourced from PubChem (CID 136896451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).