N-tert-butyl-2,2-dimethyl-3H-1-benzofuran-6-carboxamide

C15H21NO2 — CID 91824675

IUPACN-tert-butyl-2,2-dimethyl-3H-1-benzofuran-6-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc2c(c1)OC(C)(C)C2
InChIInChI=1S/C15H21NO2/c1-14(2,3)16-13(17)10-6-7-11-9-15(4,5)18-12(11)8-10/h6-8H,9H2,1-5H3,(H,16,17)
InChIKeyUHESMEHNRMPNHG-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.93
Rot. Bonds1

About N-tert-butyl-2,2-dimethyl-3H-1-benzofuran-6-carboxamide

N-tert-butyl-2,2-dimethyl-3H-1-benzofuran-6-carboxamide (PubChem CID 91824675) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-tert-butyl-2,2-dimethyl-3H-1-benzofuran-6-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2,2-dimethyl-3H-1-benzofuran-6-carboxamide
PubChem CID91824675
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-tert-butyl-2,2-dimethyl-3H-1-benzofuran-6-carboxamide
SMILESCC(C)(C)NC(=O)c1ccc2c(c1)OC(C)(C)C2
InChIInChI=1S/C15H21NO2/c1-14(2,3)16-13(17)10-6-7-11-9-15(4,5)18-12(11)8-10/h6-8H,9H2,1-5H3,(H,16,17)
InChIKeyUHESMEHNRMPNHG-UHFFFAOYSA-N
XLogP2.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyldibenzo-p-dioxin-2-carboxamide
CID 101091917
N-(1-hydroxy-2-methylpropan-2-yl)-2,2-dimethyl-4-oxo-3H-chromene-6-carboxamide
CID 108805120
methyl 2,2-dimethyl-3H-1-benzofuran-5-carboxylate
CID 15284749
6-chloro-2,2-dimethyl-3H-1-benzofuran
CID 13333889
N-[3-[bis(benzenesulfonyl)amino]-4-fluorophenyl]-2,2-dimethyl-3H-1-benzofuran-6-carboxamide
CID 166376156
N-tert-butyl-1-oxo-3H-2-benzofuran-5-carboxamide
CID 11148992
3-(2,2-dimethyl-3H-1-benzofuran-6-yl)propanoic acid
CID 82392727
2,2-dimethyl-N-(7-oxoazepan-4-yl)-3H-1-benzofuran-5-carboxamide
CID 138002572
2-amino-3-(2,2-dimethyl-3H-1-benzofuran-6-yl)propanoic acid
CID 82389430
N-tert-butyl-1,3-dimethyl-2-oxobenzimidazole-5-carboxamide
CID 110765410
3-[2-[(2,2-dimethyl-3H-1-benzofuran-5-carbonyl)amino]ethyldisulfanyl]propanoic acid
CID 166422501
2,2-dimethyl-4-oxo-3,5-dihydro-1,5-benzoxazepine-8-carboxylic acid
CID 82231700

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,2-dimethyl-3H-1-benzofuran-6-carboxamide?
The IUPAC name of N-tert-butyl-2,2-dimethyl-3H-1-benzofuran-6-carboxamide (CID 91824675) is N-tert-butyl-2,2-dimethyl-3H-1-benzofuran-6-carboxamide.
What is the SMILES notation for N-tert-butyl-2,2-dimethyl-3H-1-benzofuran-6-carboxamide?
The canonical SMILES for N-tert-butyl-2,2-dimethyl-3H-1-benzofuran-6-carboxamide is CC(C)(C)NC(=O)c1ccc2c(c1)OC(C)(C)C2.
What is the InChIKey of N-tert-butyl-2,2-dimethyl-3H-1-benzofuran-6-carboxamide?
The InChIKey is UHESMEHNRMPNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-14(2,3)16-13(17)10-6-7-11-9-15(4,5)18-12(11)8-10/h6-8H,9H2,1-5H3,(H,16,17).
What are the key properties of N-tert-butyl-2,2-dimethyl-3H-1-benzofuran-6-carboxamide?
N-tert-butyl-2,2-dimethyl-3H-1-benzofuran-6-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,2-dimethyl-3H-1-benzofuran-6-carboxamide is sourced from PubChem (CID 91824675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).