N-(5-tert-butyl-2-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide

C19H21NO3 — CID 46581242

IUPACN-(5-tert-butyl-2-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCC(C)(C)c1ccc(O)c(NC(=O)c2ccc3c(c2)CCO3)c1
InChIInChI=1S/C19H21NO3/c1-19(2,3)14-5-6-16(21)15(11-14)20-18(22)13-4-7-17-12(10-13)8-9-23-17/h4-7,10-11,21H,8-9H2,1-3H3,(H,20,22)
InChIKeyRIDJFMUAEDCSJW-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.88
Rot. Bonds2

About N-(5-tert-butyl-2-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide

N-(5-tert-butyl-2-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 46581242) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-(5-tert-butyl-2-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID46581242
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC NameN-(5-tert-butyl-2-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCC(C)(C)c1ccc(O)c(NC(=O)c2ccc3c(c2)CCO3)c1
InChIInChI=1S/C19H21NO3/c1-19(2,3)14-5-6-16(21)15(11-14)20-18(22)13-4-7-17-12(10-13)8-9-23-17/h4-7,10-11,21H,8-9H2,1-3H3,(H,20,22)
InChIKeyRIDJFMUAEDCSJW-UHFFFAOYSA-N
XLogP3.88
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 46581387
(4-tert-butylphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43160544
N-(5-tert-butyl-2-hydroxyphenyl)-3,4-dimethylbenzamide
CID 51573262
N-(5-tert-butyl-2-hydroxyphenyl)-3-chloro-4-hydroxybenzamide
CID 29265235
N-(2-fluorophenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 110693454
N-(5-fluoro-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 46583863
2-(2,3-dihydro-1-benzofuran-5-carbonylamino)-2-methylpropanoic acid
CID 61261538
N-(2,4-difluorophenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 47160884
3-(2,3-dihydro-1-benzofuran-5-carbonylamino)thiophene-2-carboxylic acid
CID 43171735
N-(5-tert-butyl-2-hydroxyphenyl)-3-fluoro-4-methylbenzamide
CID 27673068
N-(4-amino-5-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 104667397
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropan-1-one
CID 43160515

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-(5-tert-butyl-2-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide (CID 46581242) is N-(5-tert-butyl-2-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-2-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-(5-tert-butyl-2-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide is CC(C)(C)c1ccc(O)c(NC(=O)c2ccc3c(c2)CCO3)c1.
What is the InChIKey of N-(5-tert-butyl-2-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is RIDJFMUAEDCSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-19(2,3)14-5-6-16(21)15(11-14)20-18(22)13-4-7-17-12(10-13)8-9-23-17/h4-7,10-11,21H,8-9H2,1-3H3,(H,20,22).
What are the key properties of N-(5-tert-butyl-2-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
N-(5-tert-butyl-2-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 311.38 g/mol, XLogP of 3.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 46581242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).