N-hydroxy-7-[(3E)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,5-dioxopyrrolidin-1-yl]heptanamide

C20H26N2O7 — CID 169092062

IUPACN-hydroxy-7-[(3E)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,5-dioxopyrrolidin-1-yl]heptanamide
SMILESCOc1cc(/C=C2\CC(=O)N(CCCCCCC(=O)NO)C2=O)cc(OC)c1O
InChIInChI=1S/C20H26N2O7/c1-28-15-10-13(11-16(29-2)19(15)25)9-14-12-18(24)22(20(14)26)8-6-4-3-5-7-17(23)21-27/h9-11,25,27H,3-8,12H2,1-2H3,(H,21,23)/b14-9+
InChIKeyUNLNYPIHZZANHK-NTEUORMPSA-N
MW406.44 g/mol
LogP2.01
Rot. Bonds10

About N-hydroxy-7-[(3E)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,5-dioxopyrrolidin-1-yl]heptanamide

N-hydroxy-7-[(3E)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,5-dioxopyrrolidin-1-yl]heptanamide (PubChem CID 169092062) has the molecular formula C20H26N2O7 and a molecular weight of 406.44 g/mol. Its IUPAC name is N-hydroxy-7-[(3E)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,5-dioxopyrrolidin-1-yl]heptanamide.

Molecular Properties

Compound NameN-hydroxy-7-[(3E)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,5-dioxopyrrolidin-1-yl]heptanamide
PubChem CID169092062
Molecular FormulaC20H26N2O7
Molecular Weight406.44 g/mol
Exact Mass406.17
IUPAC NameN-hydroxy-7-[(3E)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,5-dioxopyrrolidin-1-yl]heptanamide
SMILESCOc1cc(/C=C2\CC(=O)N(CCCCCCC(=O)NO)C2=O)cc(OC)c1O
InChIInChI=1S/C20H26N2O7/c1-28-15-10-13(11-16(29-2)19(15)25)9-14-12-18(24)22(20(14)26)8-6-4-3-5-7-17(23)21-27/h9-11,25,27H,3-8,12H2,1-2H3,(H,21,23)/b14-9+
InChIKeyUNLNYPIHZZANHK-NTEUORMPSA-N
XLogP2.01
TPSA125.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-7-[(3E)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,5-dioxopyrrolidin-1-yl]heptanamide?
The IUPAC name of N-hydroxy-7-[(3E)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,5-dioxopyrrolidin-1-yl]heptanamide (CID 169092062) is N-hydroxy-7-[(3E)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,5-dioxopyrrolidin-1-yl]heptanamide.
What is the SMILES notation for N-hydroxy-7-[(3E)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,5-dioxopyrrolidin-1-yl]heptanamide?
The canonical SMILES for N-hydroxy-7-[(3E)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,5-dioxopyrrolidin-1-yl]heptanamide is COc1cc(/C=C2\CC(=O)N(CCCCCCC(=O)NO)C2=O)cc(OC)c1O.
What is the InChIKey of N-hydroxy-7-[(3E)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,5-dioxopyrrolidin-1-yl]heptanamide?
The InChIKey is UNLNYPIHZZANHK-NTEUORMPSA-N. The full InChI is InChI=1S/C20H26N2O7/c1-28-15-10-13(11-16(29-2)19(15)25)9-14-12-18(24)22(20(14)26)8-6-4-3-5-7-17(23)21-27/h9-11,25,27H,3-8,12H2,1-2H3,(H,21,23)/b14-9+.
What are the key properties of N-hydroxy-7-[(3E)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,5-dioxopyrrolidin-1-yl]heptanamide?
N-hydroxy-7-[(3E)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,5-dioxopyrrolidin-1-yl]heptanamide has a molecular weight of 406.44 g/mol, XLogP of 2.01, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7-[(3E)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,5-dioxopyrrolidin-1-yl]heptanamide is sourced from PubChem (CID 169092062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).