3-methyl-N-[2-(4-methylphenoxy)ethyl]-1-benzofuran-2-carboxamide

C19H19NO3 — CID 9088716

IUPAC3-methyl-N-[2-(4-methylphenoxy)ethyl]-1-benzofuran-2-carboxamide
SMILESCc1ccc(OCCNC(=O)c2oc3ccccc3c2C)cc1
InChIInChI=1S/C19H19NO3/c1-13-7-9-15(10-8-13)22-12-11-20-19(21)18-14(2)16-5-3-4-6-17(16)23-18/h3-10H,11-12H2,1-2H3,(H,20,21)
InChIKeyZVMPSYRDQUYQKY-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.86
Rot. Bonds5

About 3-methyl-N-[2-(4-methylphenoxy)ethyl]-1-benzofuran-2-carboxamide

3-methyl-N-[2-(4-methylphenoxy)ethyl]-1-benzofuran-2-carboxamide (PubChem CID 9088716) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-methyl-N-[2-(4-methylphenoxy)ethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-(4-methylphenoxy)ethyl]-1-benzofuran-2-carboxamide
PubChem CID9088716
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name3-methyl-N-[2-(4-methylphenoxy)ethyl]-1-benzofuran-2-carboxamide
SMILESCc1ccc(OCCNC(=O)c2oc3ccccc3c2C)cc1
InChIInChI=1S/C19H19NO3/c1-13-7-9-15(10-8-13)22-12-11-20-19(21)18-14(2)16-5-3-4-6-17(16)23-18/h3-10H,11-12H2,1-2H3,(H,20,21)
InChIKeyZVMPSYRDQUYQKY-UHFFFAOYSA-N
XLogP3.86
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-[3-(3-methylphenoxy)propyl]-1-benzofuran-2-carboxamide
CID 27040449
5-fluoro-N-[2-(4-methoxyphenoxy)ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 8935487
3-methyl-N-(3-methylbutyl)-1-benzofuran-2-carboxamide
CID 51172700
4-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid
CID 43239246
N-[2-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 47063757
3-[(dimethylamino)methyl]-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-1-benzofuran-2-carboxamide
CID 11749858
3-[(dimethylamino)methyl]-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-1-benzofuran-2-carboxamide;methane
CID 159274996
N-(3-formamidopropyl)-3-methyl-1-benzofuran-2-carboxamide
CID 108793579
2-methoxy-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 106108095
3-methyl-N'-(4-methylbenzoyl)-1-benzofuran-2-carbohydrazide
CID 27608073
3-methyl-N'-[2-(2-phenoxyethoxy)benzoyl]-1-benzofuran-2-carbohydrazide
CID 27685461
3-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 49357654

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(4-methylphenoxy)ethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-[2-(4-methylphenoxy)ethyl]-1-benzofuran-2-carboxamide (CID 9088716) is 3-methyl-N-[2-(4-methylphenoxy)ethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-(4-methylphenoxy)ethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-[2-(4-methylphenoxy)ethyl]-1-benzofuran-2-carboxamide is Cc1ccc(OCCNC(=O)c2oc3ccccc3c2C)cc1.
What is the InChIKey of 3-methyl-N-[2-(4-methylphenoxy)ethyl]-1-benzofuran-2-carboxamide?
The InChIKey is ZVMPSYRDQUYQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-13-7-9-15(10-8-13)22-12-11-20-19(21)18-14(2)16-5-3-4-6-17(16)23-18/h3-10H,11-12H2,1-2H3,(H,20,21).
What are the key properties of 3-methyl-N-[2-(4-methylphenoxy)ethyl]-1-benzofuran-2-carboxamide?
3-methyl-N-[2-(4-methylphenoxy)ethyl]-1-benzofuran-2-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(4-methylphenoxy)ethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 9088716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).