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

C20H21NO2 — CID 3146754

IUPACN-benzyl-N-tert-butyl-1-benzofuran-2-carboxamide
SMILESCC(C)(C)N(Cc1ccccc1)C(=O)c1cc2ccccc2o1
InChIInChI=1S/C20H21NO2/c1-20(2,3)21(14-15-9-5-4-6-10-15)19(22)18-13-16-11-7-8-12-17(16)23-18/h4-13H,14H2,1-3H3
InChIKeyLJVRHXYLDIZONR-UHFFFAOYSA-N
MW307.39 g/mol
LogP4.87
Rot. Bonds3

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

N-benzyl-N-tert-butyl-1-benzofuran-2-carboxamide (PubChem CID 3146754) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-benzyl-N-tert-butyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-tert-butyl-1-benzofuran-2-carboxamide
PubChem CID3146754
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC NameN-benzyl-N-tert-butyl-1-benzofuran-2-carboxamide
SMILESCC(C)(C)N(Cc1ccccc1)C(=O)c1cc2ccccc2o1
InChIInChI=1S/C20H21NO2/c1-20(2,3)21(14-15-9-5-4-6-10-15)19(22)18-13-16-11-7-8-12-17(16)23-18/h4-13H,14H2,1-3H3
InChIKeyLJVRHXYLDIZONR-UHFFFAOYSA-N
XLogP4.87
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Abexinostat
CID 11749858
CL82198
CID 2777
Befuraline
CID 68664
N-(4-acetylphenyl)-1-benzofuran-2-carboxamide
CID 675185
Befuraline hydrochloride
CID 73346
N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 725663
4-((3-Methyl-1-benzofuran-2-YL)carbonyl)morpholine
CID 768761
N-(1-phenylethyl)-1-benzofuran-2-carboxamide
CID 2788390
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 725650
3-((2-Benzofuranylmethyl)amino)-5-ethyl-6-methylpyridin-2(1H)-one
CID 453439
1-(1-Benzofuran-2-ylcarbonyl)-4-methylpiperidine
CID 977492
Furan-2-carboxamide deriv., 17
CID 44236903

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-tert-butyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-benzyl-N-tert-butyl-1-benzofuran-2-carboxamide (CID 3146754) is N-benzyl-N-tert-butyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-benzyl-N-tert-butyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-benzyl-N-tert-butyl-1-benzofuran-2-carboxamide is CC(C)(C)N(Cc1ccccc1)C(=O)c1cc2ccccc2o1.
What is the InChIKey of N-benzyl-N-tert-butyl-1-benzofuran-2-carboxamide?
The InChIKey is LJVRHXYLDIZONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-20(2,3)21(14-15-9-5-4-6-10-15)19(22)18-13-16-11-7-8-12-17(16)23-18/h4-13H,14H2,1-3H3.
What are the key properties of N-benzyl-N-tert-butyl-1-benzofuran-2-carboxamide?
N-benzyl-N-tert-butyl-1-benzofuran-2-carboxamide has a molecular weight of 307.39 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-tert-butyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 3146754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).