N-hydroxy-7-[(3E)-3-[(2-hydroxyphenyl)methylidene]-2,5-dioxopyrrolidin-1-yl]heptanamide

C18H22N2O5 — CID 169092075

IUPACN-hydroxy-7-[(3E)-3-[(2-hydroxyphenyl)methylidene]-2,5-dioxopyrrolidin-1-yl]heptanamide
SMILESO=C(CCCCCCN1C(=O)C/C(=C\c2ccccc2O)C1=O)NO
InChIInChI=1S/C18H22N2O5/c21-15-8-5-4-7-13(15)11-14-12-17(23)20(18(14)24)10-6-2-1-3-9-16(22)19-25/h4-5,7-8,11,21,25H,1-3,6,9-10,12H2,(H,19,22)/b14-11+
InChIKeyDGXTWWOXDVLLDE-SDNWHVSQSA-N
MW346.38 g/mol
LogP1.99
Rot. Bonds8

About N-hydroxy-7-[(3E)-3-[(2-hydroxyphenyl)methylidene]-2,5-dioxopyrrolidin-1-yl]heptanamide

N-hydroxy-7-[(3E)-3-[(2-hydroxyphenyl)methylidene]-2,5-dioxopyrrolidin-1-yl]heptanamide (PubChem CID 169092075) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is N-hydroxy-7-[(3E)-3-[(2-hydroxyphenyl)methylidene]-2,5-dioxopyrrolidin-1-yl]heptanamide.

Molecular Properties

Compound NameN-hydroxy-7-[(3E)-3-[(2-hydroxyphenyl)methylidene]-2,5-dioxopyrrolidin-1-yl]heptanamide
PubChem CID169092075
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC NameN-hydroxy-7-[(3E)-3-[(2-hydroxyphenyl)methylidene]-2,5-dioxopyrrolidin-1-yl]heptanamide
SMILESO=C(CCCCCCN1C(=O)C/C(=C\c2ccccc2O)C1=O)NO
InChIInChI=1S/C18H22N2O5/c21-15-8-5-4-7-13(15)11-14-12-17(23)20(18(14)24)10-6-2-1-3-9-16(22)19-25/h4-5,7-8,11,21,25H,1-3,6,9-10,12H2,(H,19,22)/b14-11+
InChIKeyDGXTWWOXDVLLDE-SDNWHVSQSA-N
XLogP1.99
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_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-hydroxy-7-[(3E)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,5-dioxopyrrolidin-1-yl]heptanamide
CID 169092062
ethyl 8-[(3E)-3-benzylidene-2,5-dioxopyrrolidin-1-yl]octanoate
CID 169092059
N-hydroxy-6-[(4Z)-4-[(2-methoxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]hexanamide
CID 175579171
7-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-hydroxyheptanamide
CID 171478398
6-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-hydroxyhexanamide
CID 5186
(2-hydroxyphenyl) 8-(hydroxyamino)-8-oxooctanoate
CID 143527744
1,1'-biphenyl;8-(hydroxyamino)-8-oxooctanoic acid
CID 87482835
ethyl 7-[3-[(3-iodophenyl)methylidene]-2,5-dioxopyrrolidin-1-yl]heptanoate
CID 175448664
6-(3-chloro-6-oxobenzo[b][1,4]benzothiazepin-5-yl)-N-hydroxyhexanamide
CID 11849156
ethyl 7-[(3E)-3-[(3-methoxyphenyl)methylidene]-2,5-dioxopyrrolidin-1-yl]heptanoate
CID 169092122
(3Z)-3-[(2-hydroxyphenyl)methylidene]-1-methylpyrrolidin-2-one
CID 58825310
N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]decanediamide
CID 135555032

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-7-[(3E)-3-[(2-hydroxyphenyl)methylidene]-2,5-dioxopyrrolidin-1-yl]heptanamide?
The IUPAC name of N-hydroxy-7-[(3E)-3-[(2-hydroxyphenyl)methylidene]-2,5-dioxopyrrolidin-1-yl]heptanamide (CID 169092075) is N-hydroxy-7-[(3E)-3-[(2-hydroxyphenyl)methylidene]-2,5-dioxopyrrolidin-1-yl]heptanamide.
What is the SMILES notation for N-hydroxy-7-[(3E)-3-[(2-hydroxyphenyl)methylidene]-2,5-dioxopyrrolidin-1-yl]heptanamide?
The canonical SMILES for N-hydroxy-7-[(3E)-3-[(2-hydroxyphenyl)methylidene]-2,5-dioxopyrrolidin-1-yl]heptanamide is O=C(CCCCCCN1C(=O)C/C(=C\c2ccccc2O)C1=O)NO.
What is the InChIKey of N-hydroxy-7-[(3E)-3-[(2-hydroxyphenyl)methylidene]-2,5-dioxopyrrolidin-1-yl]heptanamide?
The InChIKey is DGXTWWOXDVLLDE-SDNWHVSQSA-N. The full InChI is InChI=1S/C18H22N2O5/c21-15-8-5-4-7-13(15)11-14-12-17(23)20(18(14)24)10-6-2-1-3-9-16(22)19-25/h4-5,7-8,11,21,25H,1-3,6,9-10,12H2,(H,19,22)/b14-11+.
What are the key properties of N-hydroxy-7-[(3E)-3-[(2-hydroxyphenyl)methylidene]-2,5-dioxopyrrolidin-1-yl]heptanamide?
N-hydroxy-7-[(3E)-3-[(2-hydroxyphenyl)methylidene]-2,5-dioxopyrrolidin-1-yl]heptanamide has a molecular weight of 346.38 g/mol, XLogP of 1.99, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7-[(3E)-3-[(2-hydroxyphenyl)methylidene]-2,5-dioxopyrrolidin-1-yl]heptanamide is sourced from PubChem (CID 169092075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).