6-hydroxy-N,N-dimethyl-5-propan-2-yl-1-benzofuran-2-carboxamide

C14H17NO3 — CID 166586500

IUPAC6-hydroxy-N,N-dimethyl-5-propan-2-yl-1-benzofuran-2-carboxamide
SMILESCC(C)c1cc2cc(C(=O)N(C)C)oc2cc1O
InChIInChI=1S/C14H17NO3/c1-8(2)10-5-9-6-13(14(17)15(3)4)18-12(9)7-11(10)16/h5-8,16H,1-4H3
InChIKeyWMKWKTCJNMNCGO-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.96
Rot. Bonds2

About 6-hydroxy-N,N-dimethyl-5-propan-2-yl-1-benzofuran-2-carboxamide

6-hydroxy-N,N-dimethyl-5-propan-2-yl-1-benzofuran-2-carboxamide (PubChem CID 166586500) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 6-hydroxy-N,N-dimethyl-5-propan-2-yl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name6-hydroxy-N,N-dimethyl-5-propan-2-yl-1-benzofuran-2-carboxamide
PubChem CID166586500
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name6-hydroxy-N,N-dimethyl-5-propan-2-yl-1-benzofuran-2-carboxamide
SMILESCC(C)c1cc2cc(C(=O)N(C)C)oc2cc1O
InChIInChI=1S/C14H17NO3/c1-8(2)10-5-9-6-13(14(17)15(3)4)18-12(9)7-11(10)16/h5-8,16H,1-4H3
InChIKeyWMKWKTCJNMNCGO-UHFFFAOYSA-N
XLogP2.96
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-N,N-dimethyl-5-propan-2-yl-1-benzofuran-2-carboxamide?
The IUPAC name of 6-hydroxy-N,N-dimethyl-5-propan-2-yl-1-benzofuran-2-carboxamide (CID 166586500) is 6-hydroxy-N,N-dimethyl-5-propan-2-yl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 6-hydroxy-N,N-dimethyl-5-propan-2-yl-1-benzofuran-2-carboxamide?
The canonical SMILES for 6-hydroxy-N,N-dimethyl-5-propan-2-yl-1-benzofuran-2-carboxamide is CC(C)c1cc2cc(C(=O)N(C)C)oc2cc1O.
What is the InChIKey of 6-hydroxy-N,N-dimethyl-5-propan-2-yl-1-benzofuran-2-carboxamide?
The InChIKey is WMKWKTCJNMNCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-8(2)10-5-9-6-13(14(17)15(3)4)18-12(9)7-11(10)16/h5-8,16H,1-4H3.
What are the key properties of 6-hydroxy-N,N-dimethyl-5-propan-2-yl-1-benzofuran-2-carboxamide?
6-hydroxy-N,N-dimethyl-5-propan-2-yl-1-benzofuran-2-carboxamide has a molecular weight of 247.29 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-N,N-dimethyl-5-propan-2-yl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 166586500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).