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

C20H21NO2 — CID 19241076

IUPAC5-ethyl-N-(2-ethylphenyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCCc1ccc2oc(C(=O)Nc3ccccc3CC)c(C)c2c1
InChIInChI=1S/C20H21NO2/c1-4-14-10-11-18-16(12-14)13(3)19(23-18)20(22)21-17-9-7-6-8-15(17)5-2/h6-12H,4-5H2,1-3H3,(H,21,22)
InChIKeyNOWOTXZVXCBLIM-UHFFFAOYSA-N
MW307.39 g/mol
LogP5.12
Rot. Bonds4

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

5-ethyl-N-(2-ethylphenyl)-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 19241076) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 5-ethyl-N-(2-ethylphenyl)-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-(2-ethylphenyl)-3-methyl-1-benzofuran-2-carboxamide
PubChem CID19241076
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name5-ethyl-N-(2-ethylphenyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCCc1ccc2oc(C(=O)Nc3ccccc3CC)c(C)c2c1
InChIInChI=1S/C20H21NO2/c1-4-14-10-11-18-16(12-14)13(3)19(23-18)20(22)21-17-9-7-6-8-15(17)5-2/h6-12H,4-5H2,1-3H3,(H,21,22)
InChIKeyNOWOTXZVXCBLIM-UHFFFAOYSA-N
XLogP5.12
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.39
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-5-yl)-5-ethyl-3-methyl-1-benzofuran-2-carboxamide
CID 118984805
5-ethyl-N-(3-iodophenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 1248180
N-tert-butyl-5-ethyl-3-methyl-1-benzofuran-2-carboxamide
CID 19241054
5-ethyl-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide
CID 19241055
5-ethyl-N-(2-hydroxyethyl)-3-methyl-1-benzofuran-2-carboxamide
CID 102534716
N-(1,3-benzothiazol-2-yl)-5-ethyl-3-methyl-1-benzofuran-2-carboxamide
CID 19241153
1-(5-ethyl-3-methyl-1-benzofuran-2-yl)ethanone
CID 43155112
ethyl 2-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]-5-methyl-4-phenylthiophene-3-carboxylate
CID 19241228
5-ethyl-3-methyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 19241218
N-(2-ethylsulfonylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 55613510
5-chloro-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-1-benzofuran-2-carboxamide
CID 55674048
5-ethyl-N-(4-methoxy-2-nitrophenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 19241179

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(2-ethylphenyl)-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-ethyl-N-(2-ethylphenyl)-3-methyl-1-benzofuran-2-carboxamide (CID 19241076) is 5-ethyl-N-(2-ethylphenyl)-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-ethyl-N-(2-ethylphenyl)-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-ethyl-N-(2-ethylphenyl)-3-methyl-1-benzofuran-2-carboxamide is CCc1ccc2oc(C(=O)Nc3ccccc3CC)c(C)c2c1.
What is the InChIKey of 5-ethyl-N-(2-ethylphenyl)-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is NOWOTXZVXCBLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-4-14-10-11-18-16(12-14)13(3)19(23-18)20(22)21-17-9-7-6-8-15(17)5-2/h6-12H,4-5H2,1-3H3,(H,21,22).
What are the key properties of 5-ethyl-N-(2-ethylphenyl)-3-methyl-1-benzofuran-2-carboxamide?
5-ethyl-N-(2-ethylphenyl)-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 307.39 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(2-ethylphenyl)-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 19241076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).