5-ethyl-3-methyl-N-(4-pentoxyphenyl)-1-benzofuran-2-carboxamide

C23H27NO3 — CID 19241097

IUPAC5-ethyl-3-methyl-N-(4-pentoxyphenyl)-1-benzofuran-2-carboxamide
SMILESCCCCCOc1ccc(NC(=O)c2oc3ccc(CC)cc3c2C)cc1
InChIInChI=1S/C23H27NO3/c1-4-6-7-14-26-19-11-9-18(10-12-19)24-23(25)22-16(3)20-15-17(5-2)8-13-21(20)27-22/h8-13,15H,4-7,14H2,1-3H3,(H,24,25)
InChIKeyJDHNYDVVJUYUBQ-UHFFFAOYSA-N
MW365.47 g/mol
LogP6.12
Rot. Bonds8

About 5-ethyl-3-methyl-N-(4-pentoxyphenyl)-1-benzofuran-2-carboxamide

5-ethyl-3-methyl-N-(4-pentoxyphenyl)-1-benzofuran-2-carboxamide (PubChem CID 19241097) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is 5-ethyl-3-methyl-N-(4-pentoxyphenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-3-methyl-N-(4-pentoxyphenyl)-1-benzofuran-2-carboxamide
PubChem CID19241097
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Name5-ethyl-3-methyl-N-(4-pentoxyphenyl)-1-benzofuran-2-carboxamide
SMILESCCCCCOc1ccc(NC(=O)c2oc3ccc(CC)cc3c2C)cc1
InChIInChI=1S/C23H27NO3/c1-4-6-7-14-26-19-11-9-18(10-12-19)24-23(25)22-16(3)20-15-17(5-2)8-13-21(20)27-22/h8-13,15H,4-7,14H2,1-3H3,(H,24,25)
InChIKeyJDHNYDVVJUYUBQ-UHFFFAOYSA-N
XLogP6.12
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.47
LogP ≤ 56.12
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

2-methylpropyl 4-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]benzoate
CID 19241107
5-bromo-N-(4-ethoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 3601277
N-(4-acetamidophenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
CID 8701405
5-amino-N-(4-hexoxyphenyl)furan-2-carboxamide
CID 82344339
5-ethyl-N-(3-iodophenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 1248180
N-(4-chlorophenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
CID 9073189
N-[4-(2-hydroxyethyl)phenyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 110922986
5-ethyl-N-(2-ethylphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 19241076
5-bromo-N-(4-heptoxyphenyl)furan-2-carboxamide
CID 4951508
N-[4-(4-ethoxyphenoxy)phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 7925267
5-ethyl-N-(2-hydroxyethyl)-3-methyl-1-benzofuran-2-carboxamide
CID 102534716
5-ethyl-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide
CID 19241055

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-methyl-N-(4-pentoxyphenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-ethyl-3-methyl-N-(4-pentoxyphenyl)-1-benzofuran-2-carboxamide (CID 19241097) is 5-ethyl-3-methyl-N-(4-pentoxyphenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-ethyl-3-methyl-N-(4-pentoxyphenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-ethyl-3-methyl-N-(4-pentoxyphenyl)-1-benzofuran-2-carboxamide is CCCCCOc1ccc(NC(=O)c2oc3ccc(CC)cc3c2C)cc1.
What is the InChIKey of 5-ethyl-3-methyl-N-(4-pentoxyphenyl)-1-benzofuran-2-carboxamide?
The InChIKey is JDHNYDVVJUYUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO3/c1-4-6-7-14-26-19-11-9-18(10-12-19)24-23(25)22-16(3)20-15-17(5-2)8-13-21(20)27-22/h8-13,15H,4-7,14H2,1-3H3,(H,24,25).
What are the key properties of 5-ethyl-3-methyl-N-(4-pentoxyphenyl)-1-benzofuran-2-carboxamide?
5-ethyl-3-methyl-N-(4-pentoxyphenyl)-1-benzofuran-2-carboxamide has a molecular weight of 365.47 g/mol, XLogP of 6.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-methyl-N-(4-pentoxyphenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 19241097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).