5-ethoxy-3-methyl-N-[1-(4-methylphenyl)propyl]-1-benzofuran-2-carboxamide

C22H25NO3 — CID 42907524

IUPAC5-ethoxy-3-methyl-N-[1-(4-methylphenyl)propyl]-1-benzofuran-2-carboxamide
SMILESCCOc1ccc2oc(C(=O)NC(CC)c3ccc(C)cc3)c(C)c2c1
InChIInChI=1S/C22H25NO3/c1-5-19(16-9-7-14(3)8-10-16)23-22(24)21-15(4)18-13-17(25-6-2)11-12-20(18)26-21/h7-13,19H,5-6H2,1-4H3,(H,23,24)
InChIKeyZWUKJGFQQBNIOV-UHFFFAOYSA-N
MW351.45 g/mol
LogP5.33
Rot. Bonds6

About 5-ethoxy-3-methyl-N-[1-(4-methylphenyl)propyl]-1-benzofuran-2-carboxamide

5-ethoxy-3-methyl-N-[1-(4-methylphenyl)propyl]-1-benzofuran-2-carboxamide (PubChem CID 42907524) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is 5-ethoxy-3-methyl-N-[1-(4-methylphenyl)propyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-ethoxy-3-methyl-N-[1-(4-methylphenyl)propyl]-1-benzofuran-2-carboxamide
PubChem CID42907524
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Name5-ethoxy-3-methyl-N-[1-(4-methylphenyl)propyl]-1-benzofuran-2-carboxamide
SMILESCCOc1ccc2oc(C(=O)NC(CC)c3ccc(C)cc3)c(C)c2c1
InChIInChI=1S/C22H25NO3/c1-5-19(16-9-7-14(3)8-10-16)23-22(24)21-15(4)18-13-17(25-6-2)11-12-20(18)26-21/h7-13,19H,5-6H2,1-4H3,(H,23,24)
InChIKeyZWUKJGFQQBNIOV-UHFFFAOYSA-N
XLogP5.33
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.45
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-N-[(1R)-1-pyridin-4-ylpropyl]-1-benzofuran-2-carboxamide
CID 42522128
N-(4-acetamidophenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
CID 8701405
3-methyl-N-[(1S)-1-phenylpropyl]-1-benzofuran-2-carboxamide
CID 40636003
N-(4-chlorophenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
CID 9073189
N-(2,5-diethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 8909222
diethyl 2-[(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)amino]propanedioate
CID 55466367
N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2412037
5-ethoxy-N-[2-(4-fluorophenyl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 9080704
[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate
CID 8736687
5-(fluoromethoxy)-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 91498486
5-methoxy-3-methyl-N'-[2-(4-methylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide
CID 8873473
5-bromo-N-(4-ethoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 3601277

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3-methyl-N-[1-(4-methylphenyl)propyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-ethoxy-3-methyl-N-[1-(4-methylphenyl)propyl]-1-benzofuran-2-carboxamide (CID 42907524) is 5-ethoxy-3-methyl-N-[1-(4-methylphenyl)propyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-ethoxy-3-methyl-N-[1-(4-methylphenyl)propyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-ethoxy-3-methyl-N-[1-(4-methylphenyl)propyl]-1-benzofuran-2-carboxamide is CCOc1ccc2oc(C(=O)NC(CC)c3ccc(C)cc3)c(C)c2c1.
What is the InChIKey of 5-ethoxy-3-methyl-N-[1-(4-methylphenyl)propyl]-1-benzofuran-2-carboxamide?
The InChIKey is ZWUKJGFQQBNIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3/c1-5-19(16-9-7-14(3)8-10-16)23-22(24)21-15(4)18-13-17(25-6-2)11-12-20(18)26-21/h7-13,19H,5-6H2,1-4H3,(H,23,24).
What are the key properties of 5-ethoxy-3-methyl-N-[1-(4-methylphenyl)propyl]-1-benzofuran-2-carboxamide?
5-ethoxy-3-methyl-N-[1-(4-methylphenyl)propyl]-1-benzofuran-2-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-3-methyl-N-[1-(4-methylphenyl)propyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 42907524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).