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

C14H17NO3 — CID 102534716

IUPAC5-ethyl-N-(2-hydroxyethyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCCc1ccc2oc(C(=O)NCCO)c(C)c2c1
InChIInChI=1S/C14H17NO3/c1-3-10-4-5-12-11(8-10)9(2)13(18-12)14(17)15-6-7-16/h4-5,8,16H,3,6-7H2,1-2H3,(H,15,17)
InChIKeyVTANXFFPHQPFHD-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.03
Rot. Bonds4

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

5-ethyl-N-(2-hydroxyethyl)-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 102534716) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 5-ethyl-N-(2-hydroxyethyl)-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-(2-hydroxyethyl)-3-methyl-1-benzofuran-2-carboxamide
PubChem CID102534716
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name5-ethyl-N-(2-hydroxyethyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCCc1ccc2oc(C(=O)NCCO)c(C)c2c1
InChIInChI=1S/C14H17NO3/c1-3-10-4-5-12-11(8-10)9(2)13(18-12)14(17)15-6-7-16/h4-5,8,16H,3,6-7H2,1-2H3,(H,15,17)
InChIKeyVTANXFFPHQPFHD-UHFFFAOYSA-N
XLogP2.03
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide
CID 19241055
N-(cyclobutylmethyl)-5-ethyl-3-methyl-1-benzofuran-2-carboxamide
CID 95756517
N-tert-butyl-5-ethyl-3-methyl-1-benzofuran-2-carboxamide
CID 19241054
1-(5-ethyl-3-methyl-1-benzofuran-2-yl)ethanone
CID 43155112
5-ethyl-N-(2-ethylphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 19241076
5-ethyl-N-(3-iodophenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 1248180
5-ethyl-3-methyl-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]-1-benzofuran-2-carboxamide
CID 91957127
N-(2,3-dihydro-1,4-benzodioxin-5-yl)-5-ethyl-3-methyl-1-benzofuran-2-carboxamide
CID 118984805
2-methylpropyl 4-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]benzoate
CID 19241107
ethyl 2-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 19241145
5-ethoxy-N-[2-(4-fluorophenyl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 9080704
5-ethyl-3-methyl-N-(4-pentoxyphenyl)-1-benzofuran-2-carboxamide
CID 19241097

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(2-hydroxyethyl)-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-ethyl-N-(2-hydroxyethyl)-3-methyl-1-benzofuran-2-carboxamide (CID 102534716) is 5-ethyl-N-(2-hydroxyethyl)-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-ethyl-N-(2-hydroxyethyl)-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-ethyl-N-(2-hydroxyethyl)-3-methyl-1-benzofuran-2-carboxamide is CCc1ccc2oc(C(=O)NCCO)c(C)c2c1.
What is the InChIKey of 5-ethyl-N-(2-hydroxyethyl)-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is VTANXFFPHQPFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-3-10-4-5-12-11(8-10)9(2)13(18-12)14(17)15-6-7-16/h4-5,8,16H,3,6-7H2,1-2H3,(H,15,17).
What are the key properties of 5-ethyl-N-(2-hydroxyethyl)-3-methyl-1-benzofuran-2-carboxamide?
5-ethyl-N-(2-hydroxyethyl)-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 247.29 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(2-hydroxyethyl)-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 102534716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).