N'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2,5-dimethylfuran-3-carbohydrazide

C18H19N3O5 — CID 4880459

IUPACN'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2,5-dimethylfuran-3-carbohydrazide
SMILESCOc1ccc(N2C(=O)CC(NNC(=O)c3cc(C)oc3C)C2=O)cc1
InChIInChI=1S/C18H19N3O5/c1-10-8-14(11(2)26-10)17(23)20-19-15-9-16(22)21(18(15)24)12-4-6-13(25-3)7-5-12/h4-8,15,19H,9H2,1-3H3,(H,20,23)
InChIKeyFMCGAHSIYMCTAF-UHFFFAOYSA-N
MW357.37 g/mol
LogP1.47
Rot. Bonds5

About N'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2,5-dimethylfuran-3-carbohydrazide

N'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2,5-dimethylfuran-3-carbohydrazide (PubChem CID 4880459) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is N'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2,5-dimethylfuran-3-carbohydrazide.

Molecular Properties

Compound NameN'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2,5-dimethylfuran-3-carbohydrazide
PubChem CID4880459
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC NameN'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2,5-dimethylfuran-3-carbohydrazide
SMILESCOc1ccc(N2C(=O)CC(NNC(=O)c3cc(C)oc3C)C2=O)cc1
InChIInChI=1S/C18H19N3O5/c1-10-8-14(11(2)26-10)17(23)20-19-15-9-16(22)21(18(15)24)12-4-6-13(25-3)7-5-12/h4-8,15,19H,9H2,1-3H3,(H,20,23)
InChIKeyFMCGAHSIYMCTAF-UHFFFAOYSA-N
XLogP1.47
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2,5-dimethylfuran-3-carbohydrazide?
The IUPAC name of N'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2,5-dimethylfuran-3-carbohydrazide (CID 4880459) is N'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2,5-dimethylfuran-3-carbohydrazide.
What is the SMILES notation for N'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2,5-dimethylfuran-3-carbohydrazide?
The canonical SMILES for N'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2,5-dimethylfuran-3-carbohydrazide is COc1ccc(N2C(=O)CC(NNC(=O)c3cc(C)oc3C)C2=O)cc1.
What is the InChIKey of N'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2,5-dimethylfuran-3-carbohydrazide?
The InChIKey is FMCGAHSIYMCTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-10-8-14(11(2)26-10)17(23)20-19-15-9-16(22)21(18(15)24)12-4-6-13(25-3)7-5-12/h4-8,15,19H,9H2,1-3H3,(H,20,23).
What are the key properties of N'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2,5-dimethylfuran-3-carbohydrazide?
N'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2,5-dimethylfuran-3-carbohydrazide has a molecular weight of 357.37 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2,5-dimethylfuran-3-carbohydrazide is sourced from PubChem (CID 4880459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).