4-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]-5-phenylfuran-2,3-dione

C19H15NO4 — CID 3021287

IUPAC4-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]-5-phenylfuran-2,3-dione
SMILESCOc1ccc(/N=C(\C)C2=C(c3ccccc3)OC(=O)C2=O)cc1
InChIInChI=1S/C19H15NO4/c1-12(20-14-8-10-15(23-2)11-9-14)16-17(21)19(22)24-18(16)13-6-4-3-5-7-13/h3-11H,1-2H3/b20-12+
InChIKeyYXZJQNKZKVCRBV-UDWIEESQSA-N
MW321.33 g/mol
LogP3.32
Rot. Bonds4

About 4-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]-5-phenylfuran-2,3-dione

4-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]-5-phenylfuran-2,3-dione (PubChem CID 3021287) has the molecular formula C19H15NO4 and a molecular weight of 321.33 g/mol. Its IUPAC name is 4-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]-5-phenylfuran-2,3-dione.

Molecular Properties

Compound Name4-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]-5-phenylfuran-2,3-dione
PubChem CID3021287
Molecular FormulaC19H15NO4
Molecular Weight321.33 g/mol
Exact Mass321.10
IUPAC Name4-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]-5-phenylfuran-2,3-dione
SMILESCOc1ccc(/N=C(\C)C2=C(c3ccccc3)OC(=O)C2=O)cc1
InChIInChI=1S/C19H15NO4/c1-12(20-14-8-10-15(23-2)11-9-14)16-17(21)19(22)24-18(16)13-6-4-3-5-7-13/h3-11H,1-2H3/b20-12+
InChIKeyYXZJQNKZKVCRBV-UDWIEESQSA-N
XLogP3.32
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_fives(89)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]-5-phenylfuran-2,3-dione?
The IUPAC name of 4-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]-5-phenylfuran-2,3-dione (CID 3021287) is 4-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]-5-phenylfuran-2,3-dione.
What is the SMILES notation for 4-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]-5-phenylfuran-2,3-dione?
The canonical SMILES for 4-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]-5-phenylfuran-2,3-dione is COc1ccc(/N=C(\C)C2=C(c3ccccc3)OC(=O)C2=O)cc1.
What is the InChIKey of 4-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]-5-phenylfuran-2,3-dione?
The InChIKey is YXZJQNKZKVCRBV-UDWIEESQSA-N. The full InChI is InChI=1S/C19H15NO4/c1-12(20-14-8-10-15(23-2)11-9-14)16-17(21)19(22)24-18(16)13-6-4-3-5-7-13/h3-11H,1-2H3/b20-12+.
What are the key properties of 4-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]-5-phenylfuran-2,3-dione?
4-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]-5-phenylfuran-2,3-dione has a molecular weight of 321.33 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[N-(4-methoxyphenyl)-C-methylcarbonimidoyl]-5-phenylfuran-2,3-dione is sourced from PubChem (CID 3021287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).