N-(5-tert-butyl-2-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide

C21H23NO3 — CID 2464234

IUPACN-(5-tert-butyl-2-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)c1oc2ccccc2c1C
InChIInChI=1S/C21H23NO3/c1-13-15-8-6-7-9-17(15)25-19(13)20(23)22-16-12-14(21(2,3)4)10-11-18(16)24-5/h6-12H,1-5H3,(H,22,23)
InChIKeyBRTHRZQWNLVHKA-UHFFFAOYSA-N
MW337.42 g/mol
LogP5.30
Rot. Bonds3

About N-(5-tert-butyl-2-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide

N-(5-tert-butyl-2-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 2464234) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-(5-tert-butyl-2-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
PubChem CID2464234
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC NameN-(5-tert-butyl-2-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc(C(C)(C)C)cc1NC(=O)c1oc2ccccc2c1C
InChIInChI=1S/C21H23NO3/c1-13-15-8-6-7-9-17(15)25-19(13)20(23)22-16-12-14(21(2,3)4)10-11-18(16)24-5/h6-12H,1-5H3,(H,22,23)
InChIKeyBRTHRZQWNLVHKA-UHFFFAOYSA-N
XLogP5.30
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.42
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(5-tert-butyl-2-methoxyphenyl)-3-methyl-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

N-[2-methoxy-5-(methylcarbamoyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 87001795
N-[5-(dimethylcarbamoyl)-2,3-dimethoxyphenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 176505151
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 8911906
N'-(4-methoxy-3-methylphenyl)sulfonyl-3-methyl-1-benzofuran-2-carbohydrazide
CID 39826924
(3-methyl-1-benzofuran-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 46226711
N-(5-tert-butyl-2-methoxyphenyl)-2-fluorobenzamide
CID 2086520
N-(2-methoxy-5-methylphenyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 7962546
N-(2,4-difluorophenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 7770031
N-(5-tert-butyl-2-methoxyphenyl)-2-(naphthalen-1-ylamino)acetamide
CID 2456629
2-[(3-methyl-1-benzofuran-2-carbonyl)amino]benzoate
CID 7463653
N-(5-tert-butyl-2-methoxyphenyl)-3-hydroxynaphthalene-2-carboxamide
CID 20604815
N'-(2,3-dimethoxybenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide
CID 27685449

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide (CID 2464234) is N-(5-tert-butyl-2-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-2-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(5-tert-butyl-2-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide is COc1ccc(C(C)(C)C)cc1NC(=O)c1oc2ccccc2c1C.
What is the InChIKey of N-(5-tert-butyl-2-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is BRTHRZQWNLVHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c1-13-15-8-6-7-9-17(15)25-19(13)20(23)22-16-12-14(21(2,3)4)10-11-18(16)24-5/h6-12H,1-5H3,(H,22,23).
What are the key properties of N-(5-tert-butyl-2-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide?
N-(5-tert-butyl-2-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 5.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2464234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).