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

C19H24N2O5 — CID 169092081

IUPACN-hydroxy-7-[(3E)-3-[(3-methoxyphenyl)methylidene]-2,5-dioxopyrrolidin-1-yl]heptanamide
SMILESCOc1cccc(/C=C2\CC(=O)N(CCCCCCC(=O)NO)C2=O)c1
InChIInChI=1S/C19H24N2O5/c1-26-16-8-6-7-14(12-16)11-15-13-18(23)21(19(15)24)10-5-3-2-4-9-17(22)20-25/h6-8,11-12,25H,2-5,9-10,13H2,1H3,(H,20,22)/b15-11+
InChIKeyXJEFVLVPFYENFG-RVDMUPIBSA-N
MW360.41 g/mol
LogP2.29
Rot. Bonds9

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

N-hydroxy-7-[(3E)-3-[(3-methoxyphenyl)methylidene]-2,5-dioxopyrrolidin-1-yl]heptanamide (PubChem CID 169092081) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is N-hydroxy-7-[(3E)-3-[(3-methoxyphenyl)methylidene]-2,5-dioxopyrrolidin-1-yl]heptanamide.

Molecular Properties

Compound NameN-hydroxy-7-[(3E)-3-[(3-methoxyphenyl)methylidene]-2,5-dioxopyrrolidin-1-yl]heptanamide
PubChem CID169092081
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC NameN-hydroxy-7-[(3E)-3-[(3-methoxyphenyl)methylidene]-2,5-dioxopyrrolidin-1-yl]heptanamide
SMILESCOc1cccc(/C=C2\CC(=O)N(CCCCCCC(=O)NO)C2=O)c1
InChIInChI=1S/C19H24N2O5/c1-26-16-8-6-7-14(12-16)11-15-13-18(23)21(19(15)24)10-5-3-2-4-9-17(22)20-25/h6-8,11-12,25H,2-5,9-10,13H2,1H3,(H,20,22)/b15-11+
InChIKeyXJEFVLVPFYENFG-RVDMUPIBSA-N
XLogP2.29
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.29
H-Bond Donors ≤ 52
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

1-(m-Methoxycinnamoyl)pyrrolidine
CID 5373710
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CID 11150862
N-hydroxy-3-[1-[3-(2-methoxyphenyl)propyl]-5-oxo-2H-pyrrol-4-yl]propanamide
CID 11220860
N-hydroxy-3-[1-[(3-methoxyphenyl)methyl]-5-oxo-2H-pyrrol-4-yl]propanamide
CID 11231592
N-hydroxy-3-[1-[2-(3-methoxyphenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]propanamide
CID 11335716
N-hydroxy-3-[1-[3-(4-methoxyphenyl)propyl]-5-oxo-2H-pyrrol-4-yl]propanamide
CID 11370567
N-hydroxy-3-[1-[(4-methoxyphenyl)methyl]-5-oxo-2H-pyrrol-4-yl]propanamide
CID 11403547
N-hydroxy-3-[1-[3-(3-methoxyphenyl)propyl]-5-oxo-2H-pyrrol-4-yl]propanamide
CID 11427127
N-hydroxy-3-[1-[2-(2-methoxyphenyl)ethyl]-5-oxo-2H-pyrrol-4-yl]propanamide
CID 11738253
(E)-N-hydroxy-3-[1-[(3-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]prop-2-enamide
CID 49846994
(E)-N-hydroxy-3-[1-[3-(3-methoxyphenyl)propyl]-2-oxo-3-pyridinyl]prop-2-enamide
CID 49847146
(E)-N-hydroxy-3-[1-[2-(3-methoxyphenyl)ethyl]-2-oxo-3-pyridinyl]prop-2-enamide
CID 49847227

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-7-[(3E)-3-[(3-methoxyphenyl)methylidene]-2,5-dioxopyrrolidin-1-yl]heptanamide?
The IUPAC name of N-hydroxy-7-[(3E)-3-[(3-methoxyphenyl)methylidene]-2,5-dioxopyrrolidin-1-yl]heptanamide (CID 169092081) is N-hydroxy-7-[(3E)-3-[(3-methoxyphenyl)methylidene]-2,5-dioxopyrrolidin-1-yl]heptanamide.
What is the SMILES notation for N-hydroxy-7-[(3E)-3-[(3-methoxyphenyl)methylidene]-2,5-dioxopyrrolidin-1-yl]heptanamide?
The canonical SMILES for N-hydroxy-7-[(3E)-3-[(3-methoxyphenyl)methylidene]-2,5-dioxopyrrolidin-1-yl]heptanamide is COc1cccc(/C=C2\CC(=O)N(CCCCCCC(=O)NO)C2=O)c1.
What is the InChIKey of N-hydroxy-7-[(3E)-3-[(3-methoxyphenyl)methylidene]-2,5-dioxopyrrolidin-1-yl]heptanamide?
The InChIKey is XJEFVLVPFYENFG-RVDMUPIBSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-26-16-8-6-7-14(12-16)11-15-13-18(23)21(19(15)24)10-5-3-2-4-9-17(22)20-25/h6-8,11-12,25H,2-5,9-10,13H2,1H3,(H,20,22)/b15-11+.
What are the key properties of N-hydroxy-7-[(3E)-3-[(3-methoxyphenyl)methylidene]-2,5-dioxopyrrolidin-1-yl]heptanamide?
N-hydroxy-7-[(3E)-3-[(3-methoxyphenyl)methylidene]-2,5-dioxopyrrolidin-1-yl]heptanamide has a molecular weight of 360.41 g/mol, XLogP of 2.29, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7-[(3E)-3-[(3-methoxyphenyl)methylidene]-2,5-dioxopyrrolidin-1-yl]heptanamide is sourced from PubChem (CID 169092081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).