5-tert-butyl-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-methylfuran-3-carboxamide

C20H27NO3 — CID 748446

IUPAC5-tert-butyl-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-methylfuran-3-carboxamide
SMILESCc1cc(O)c(C(C)C)cc1NC(=O)c1cc(C(C)(C)C)oc1C
InChIInChI=1S/C20H27NO3/c1-11(2)14-9-16(12(3)8-17(14)22)21-19(23)15-10-18(20(5,6)7)24-13(15)4/h8-11,22H,1-7H3,(H,21,23)
InChIKeyHWUALEDHKVHWLS-UHFFFAOYSA-N
MW329.44 g/mol
LogP5.28
Rot. Bonds3

About 5-tert-butyl-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-methylfuran-3-carboxamide

5-tert-butyl-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-methylfuran-3-carboxamide (PubChem CID 748446) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is 5-tert-butyl-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-methylfuran-3-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-methylfuran-3-carboxamide
PubChem CID748446
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name5-tert-butyl-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-methylfuran-3-carboxamide
SMILESCc1cc(O)c(C(C)C)cc1NC(=O)c1cc(C(C)(C)C)oc1C
InChIInChI=1S/C20H27NO3/c1-11(2)14-9-16(12(3)8-17(14)22)21-19(23)15-10-18(20(5,6)7)24-13(15)4/h8-11,22H,1-7H3,(H,21,23)
InChIKeyHWUALEDHKVHWLS-UHFFFAOYSA-N
XLogP5.28
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.44
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-methylfuran-3-carboxamide?
The IUPAC name of 5-tert-butyl-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-methylfuran-3-carboxamide (CID 748446) is 5-tert-butyl-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-methylfuran-3-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-methylfuran-3-carboxamide?
The canonical SMILES for 5-tert-butyl-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-methylfuran-3-carboxamide is Cc1cc(O)c(C(C)C)cc1NC(=O)c1cc(C(C)(C)C)oc1C.
What is the InChIKey of 5-tert-butyl-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-methylfuran-3-carboxamide?
The InChIKey is HWUALEDHKVHWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c1-11(2)14-9-16(12(3)8-17(14)22)21-19(23)15-10-18(20(5,6)7)24-13(15)4/h8-11,22H,1-7H3,(H,21,23).
What are the key properties of 5-tert-butyl-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-methylfuran-3-carboxamide?
5-tert-butyl-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-methylfuran-3-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 5.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-methylfuran-3-carboxamide is sourced from PubChem (CID 748446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).