N-tert-butyl-1-benzofuran-2-carboxamide

C13H15NO2 — CID 737735

IUPACN-tert-butyl-1-benzofuran-2-carboxamide
SMILESCC(C)(C)NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C13H15NO2/c1-13(2,3)14-12(15)11-8-9-6-4-5-7-10(9)16-11/h4-8H,1-3H3,(H,14,15)
InChIKeyFNGYHVMCXWTWFQ-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.96
Rot. Bonds1

About N-tert-butyl-1-benzofuran-2-carboxamide

N-tert-butyl-1-benzofuran-2-carboxamide (PubChem CID 737735) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is N-tert-butyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-benzofuran-2-carboxamide
PubChem CID737735
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC NameN-tert-butyl-1-benzofuran-2-carboxamide
SMILESCC(C)(C)NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C13H15NO2/c1-13(2,3)14-12(15)11-8-9-6-4-5-7-10(9)16-11/h4-8H,1-3H3,(H,14,15)
InChIKeyFNGYHVMCXWTWFQ-UHFFFAOYSA-N
XLogP2.96
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-tert-butyl-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-benzofuran-2-carbonylamino)-2-methylpropanoic acid
CID 61262055
N-(2-methylbutan-2-yl)-1-benzofuran-2-carboxamide
CID 40623926
N-(4-hydroxy-2-methylbutan-2-yl)-1-benzofuran-2-carboxamide
CID 115869996
5-amino-N-tert-butyl-1-benzofuran-2-carboxamide
CID 61092383
N-(1-amino-2,3-dimethylbutan-2-yl)-1-benzofuran-2-carboxamide
CID 81485679
N-tert-butyl-5-chloro-1-benzofuran-2-carboxamide
CID 19240925
N-tert-butyl-2-oxochromene-3-carboxamide
CID 2798381
1-(1-benzofuran-2-yl)-2,2-dimethylpropan-1-one
CID 13148492
N-tert-butyl-7-methyl-1-benzofuran-2-carboxamide
CID 48980635
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366962
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366960
1-(1-benzofuran-2-yl)ethanone
CID 15435

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-tert-butyl-1-benzofuran-2-carboxamide (CID 737735) is N-tert-butyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-tert-butyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-tert-butyl-1-benzofuran-2-carboxamide is CC(C)(C)NC(=O)c1cc2ccccc2o1.
What is the InChIKey of N-tert-butyl-1-benzofuran-2-carboxamide?
The InChIKey is FNGYHVMCXWTWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-13(2,3)14-12(15)11-8-9-6-4-5-7-10(9)16-11/h4-8H,1-3H3,(H,14,15).
What are the key properties of N-tert-butyl-1-benzofuran-2-carboxamide?
N-tert-butyl-1-benzofuran-2-carboxamide has a molecular weight of 217.27 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 737735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).