5-methoxy-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]-1-benzofuran-2-carboxamide

C21H22N2O4 — CID 55711749

IUPAC5-methoxy-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]-1-benzofuran-2-carboxamide
SMILESCCC(=O)Nc1ccc(C)c(NC(=O)c2oc3ccc(OC)cc3c2C)c1
InChIInChI=1S/C21H22N2O4/c1-5-19(24)22-14-7-6-12(2)17(10-14)23-21(25)20-13(3)16-11-15(26-4)8-9-18(16)27-20/h6-11H,5H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyYTJDAYQEBCVAGV-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.66
Rot. Bonds5

About 5-methoxy-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]-1-benzofuran-2-carboxamide

5-methoxy-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 55711749) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 5-methoxy-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]-1-benzofuran-2-carboxamide
PubChem CID55711749
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name5-methoxy-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]-1-benzofuran-2-carboxamide
SMILESCCC(=O)Nc1ccc(C)c(NC(=O)c2oc3ccc(OC)cc3c2C)c1
InChIInChI=1S/C21H22N2O4/c1-5-19(24)22-14-7-6-12(2)17(10-14)23-21(25)20-13(3)16-11-15(26-4)8-9-18(16)27-20/h6-11H,5H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyYTJDAYQEBCVAGV-UHFFFAOYSA-N
XLogP4.66
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methylphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2679149
N-(2,3-dimethylphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2679062
N-(3,5-dimethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 7959819
N-(2,5-diethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 8909222
N-(3-acetamido-2-methylphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 134019144
N-[4-(2-hydroxyethyl)phenyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 110922986
5-methoxy-3-methyl-N-[4-(methylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 8700218
N-(2-hydroxy-4-methylphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 17473856
N-[3-(ethylcarbamoyl)phenyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 17473266
5-methoxy-3-methyl-N-[2-(propan-2-ylcarbamoylamino)phenyl]-1-benzofuran-2-carboxamide
CID 55964822
diethyl 2-[(5-methoxy-3-methyl-1-benzofuran-2-carbonyl)amino]propanedioate
CID 55466367
N-(4-benzamido-2,5-diethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 55341391

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-methoxy-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]-1-benzofuran-2-carboxamide (CID 55711749) is 5-methoxy-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-methoxy-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-methoxy-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]-1-benzofuran-2-carboxamide is CCC(=O)Nc1ccc(C)c(NC(=O)c2oc3ccc(OC)cc3c2C)c1.
What is the InChIKey of 5-methoxy-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is YTJDAYQEBCVAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-5-19(24)22-14-7-6-12(2)17(10-14)23-21(25)20-13(3)16-11-15(26-4)8-9-18(16)27-20/h6-11H,5H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of 5-methoxy-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]-1-benzofuran-2-carboxamide?
5-methoxy-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-methyl-N-[2-methyl-5-(propanoylamino)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 55711749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).