6-ethoxy-N,2-dimethyl-1-benzofuran-3-carboxamide

C13H15NO3 — CID 178114801

IUPAC6-ethoxy-N,2-dimethyl-1-benzofuran-3-carboxamide
SMILESCCOc1ccc2c(C(=O)NC)c(C)oc2c1
InChIInChI=1S/C13H15NO3/c1-4-16-9-5-6-10-11(7-9)17-8(2)12(10)13(15)14-3/h5-7H,4H2,1-3H3,(H,14,15)
InChIKeyXYOYARLUMCPXEZ-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.50
Rot. Bonds3

About 6-ethoxy-N,2-dimethyl-1-benzofuran-3-carboxamide

6-ethoxy-N,2-dimethyl-1-benzofuran-3-carboxamide (PubChem CID 178114801) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 6-ethoxy-N,2-dimethyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name6-ethoxy-N,2-dimethyl-1-benzofuran-3-carboxamide
PubChem CID178114801
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name6-ethoxy-N,2-dimethyl-1-benzofuran-3-carboxamide
SMILESCCOc1ccc2c(C(=O)NC)c(C)oc2c1
InChIInChI=1S/C13H15NO3/c1-4-16-9-5-6-10-11(7-9)17-8(2)12(10)13(15)14-3/h5-7H,4H2,1-3H3,(H,14,15)
InChIKeyXYOYARLUMCPXEZ-UHFFFAOYSA-N
XLogP2.50
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[[2-methyl-3-(methylcarbamoyl)-1-benzofuran-6-yl]oxy]quinolin-7-yl]oxyacetic acid
CID 11165656
6-(7-hydroxyquinolin-4-yl)oxy-N,2-dimethyl-1-benzofuran-3-carboxamide
CID 135507449
7-ethoxy-4-methyl-2-oxochromene-3-carboxylic acid
CID 102547088
6-(7-hydroxy-6-methoxyquinazolin-4-yl)oxy-N,2-dimethyl-1-benzofuran-3-carboxamide
CID 172990449
6-[6-(dihydroxymethyl)-5-methylpyrrolo[1,2-b]pyridazin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide
CID 178115189
N,5-dimethyl-4-[[2-methyl-3-(methylcarbamoyl)-1-benzofuran-6-yl]oxy]pyrrolo[1,2-b]pyridazine-6-carboxamide
CID 178115018
6-(3-cyano-6,7-dimethoxyquinolin-4-yl)oxy-N,2-dimethyl-1-benzofuran-3-carboxamide;ethane
CID 143892681
propan-2-yl 5-[2-(diethylamino)-2-oxoethoxy]-2-methyl-1-benzofuran-3-carboxylate
CID 741795
propan-2-yl 5-(2-methoxy-2-oxoethoxy)-2-methyl-1-benzofuran-3-carboxylate
CID 854534
6-[2-[3-[(2-aminoacetyl)amino]anilino]pyrimidin-4-yl]oxy-N,2-dimethyl-1-benzofuran-3-carboxamide
CID 59224752
N-(2-ethoxyethyl)-6-(7-methoxyquinolin-4-yl)oxy-2-methyl-1-benzofuran-3-carboxamide
CID 11418728
propan-2-yl 5-[(4-ethoxyphenyl)sulfonylamino]-2-methyl-1-benzofuran-3-carboxylate
CID 7013371

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N,2-dimethyl-1-benzofuran-3-carboxamide?
The IUPAC name of 6-ethoxy-N,2-dimethyl-1-benzofuran-3-carboxamide (CID 178114801) is 6-ethoxy-N,2-dimethyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for 6-ethoxy-N,2-dimethyl-1-benzofuran-3-carboxamide?
The canonical SMILES for 6-ethoxy-N,2-dimethyl-1-benzofuran-3-carboxamide is CCOc1ccc2c(C(=O)NC)c(C)oc2c1.
What is the InChIKey of 6-ethoxy-N,2-dimethyl-1-benzofuran-3-carboxamide?
The InChIKey is XYOYARLUMCPXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-4-16-9-5-6-10-11(7-9)17-8(2)12(10)13(15)14-3/h5-7H,4H2,1-3H3,(H,14,15).
What are the key properties of 6-ethoxy-N,2-dimethyl-1-benzofuran-3-carboxamide?
6-ethoxy-N,2-dimethyl-1-benzofuran-3-carboxamide has a molecular weight of 233.27 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N,2-dimethyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 178114801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).