4-hydroxy-N,3,6,6-tetramethyl-N-phenyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide

C19H23NO3 — CID 4902938

IUPAC4-hydroxy-N,3,6,6-tetramethyl-N-phenyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N(C)c2ccccc2)oc2c1C(O)CC(C)(C)C2
InChIInChI=1S/C19H23NO3/c1-12-16-14(21)10-19(2,3)11-15(16)23-17(12)18(22)20(4)13-8-6-5-7-9-13/h5-9,14,21H,10-11H2,1-4H3
InChIKeyREMNGFYZORPUMY-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.87
Rot. Bonds2

About 4-hydroxy-N,3,6,6-tetramethyl-N-phenyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide

4-hydroxy-N,3,6,6-tetramethyl-N-phenyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide (PubChem CID 4902938) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-hydroxy-N,3,6,6-tetramethyl-N-phenyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N,3,6,6-tetramethyl-N-phenyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide
PubChem CID4902938
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name4-hydroxy-N,3,6,6-tetramethyl-N-phenyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N(C)c2ccccc2)oc2c1C(O)CC(C)(C)C2
InChIInChI=1S/C19H23NO3/c1-12-16-14(21)10-19(2,3)11-15(16)23-17(12)18(22)20(4)13-8-6-5-7-9-13/h5-9,14,21H,10-11H2,1-4H3
InChIKeyREMNGFYZORPUMY-UHFFFAOYSA-N
XLogP3.87
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N,3,6,6-tetramethyl-N-phenyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide?
The IUPAC name of 4-hydroxy-N,3,6,6-tetramethyl-N-phenyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide (CID 4902938) is 4-hydroxy-N,3,6,6-tetramethyl-N-phenyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide.
What is the SMILES notation for 4-hydroxy-N,3,6,6-tetramethyl-N-phenyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide?
The canonical SMILES for 4-hydroxy-N,3,6,6-tetramethyl-N-phenyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide is Cc1c(C(=O)N(C)c2ccccc2)oc2c1C(O)CC(C)(C)C2.
What is the InChIKey of 4-hydroxy-N,3,6,6-tetramethyl-N-phenyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide?
The InChIKey is REMNGFYZORPUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-12-16-14(21)10-19(2,3)11-15(16)23-17(12)18(22)20(4)13-8-6-5-7-9-13/h5-9,14,21H,10-11H2,1-4H3.
What are the key properties of 4-hydroxy-N,3,6,6-tetramethyl-N-phenyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide?
4-hydroxy-N,3,6,6-tetramethyl-N-phenyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N,3,6,6-tetramethyl-N-phenyl-5,7-dihydro-4H-1-benzofuran-2-carboxamide is sourced from PubChem (CID 4902938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).