N-tert-butyl-1-oxo-3H-2-benzofuran-5-carboxamide

C13H15NO3 — CID 11148992

IUPACN-tert-butyl-1-oxo-3H-2-benzofuran-5-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc2c(c1)COC2=O
InChIInChI=1S/C13H15NO3/c1-13(2,3)14-11(15)8-4-5-10-9(6-8)7-17-12(10)16/h4-6H,7H2,1-3H3,(H,14,15)
InChIKeyOPBCOBPKMKJUSG-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.89
Rot. Bonds1

About N-tert-butyl-1-oxo-3H-2-benzofuran-5-carboxamide

N-tert-butyl-1-oxo-3H-2-benzofuran-5-carboxamide (PubChem CID 11148992) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-tert-butyl-1-oxo-3H-2-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-oxo-3H-2-benzofuran-5-carboxamide
PubChem CID11148992
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC NameN-tert-butyl-1-oxo-3H-2-benzofuran-5-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc2c(c1)COC2=O
InChIInChI=1S/C13H15NO3/c1-13(2,3)14-11(15)8-4-5-10-9(6-8)7-17-12(10)16/h4-6H,7H2,1-3H3,(H,14,15)
InChIKeyOPBCOBPKMKJUSG-UHFFFAOYSA-N
XLogP1.89
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-oxo-3H-2-benzofuran-5-carboxamide?
The IUPAC name of N-tert-butyl-1-oxo-3H-2-benzofuran-5-carboxamide (CID 11148992) is N-tert-butyl-1-oxo-3H-2-benzofuran-5-carboxamide.
What is the SMILES notation for N-tert-butyl-1-oxo-3H-2-benzofuran-5-carboxamide?
The canonical SMILES for N-tert-butyl-1-oxo-3H-2-benzofuran-5-carboxamide is CC(C)(C)NC(=O)c1ccc2c(c1)COC2=O.
What is the InChIKey of N-tert-butyl-1-oxo-3H-2-benzofuran-5-carboxamide?
The InChIKey is OPBCOBPKMKJUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-13(2,3)14-11(15)8-4-5-10-9(6-8)7-17-12(10)16/h4-6H,7H2,1-3H3,(H,14,15).
What are the key properties of N-tert-butyl-1-oxo-3H-2-benzofuran-5-carboxamide?
N-tert-butyl-1-oxo-3H-2-benzofuran-5-carboxamide has a molecular weight of 233.27 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-oxo-3H-2-benzofuran-5-carboxamide is sourced from PubChem (CID 11148992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).