2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]acetamide

C19H21NO3 — CID 86950374

IUPAC2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]acetamide
SMILESCc1cc(CNC(=O)Cc2coc3cc(C)c(C)cc23)c(C)o1
InChIInChI=1S/C19H21NO3/c1-11-5-17-16(10-22-18(17)6-12(11)2)8-19(21)20-9-15-7-13(3)23-14(15)4/h5-7,10H,8-9H2,1-4H3,(H,20,21)
InChIKeyNJEPVNKAQOPQSH-UHFFFAOYSA-N
MW311.38 g/mol
LogP4.12
Rot. Bonds4

About 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]acetamide

2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]acetamide (PubChem CID 86950374) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]acetamide
PubChem CID86950374
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]acetamide
SMILESCc1cc(CNC(=O)Cc2coc3cc(C)c(C)cc23)c(C)o1
InChIInChI=1S/C19H21NO3/c1-11-5-17-16(10-22-18(17)6-12(11)2)8-19(21)20-9-15-7-13(3)23-14(15)4/h5-7,10H,8-9H2,1-4H3,(H,20,21)
InChIKeyNJEPVNKAQOPQSH-UHFFFAOYSA-N
XLogP4.12
TPSA55.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]acetamide?
The IUPAC name of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]acetamide (CID 86950374) is 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]acetamide?
The canonical SMILES for 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]acetamide is Cc1cc(CNC(=O)Cc2coc3cc(C)c(C)cc23)c(C)o1.
What is the InChIKey of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]acetamide?
The InChIKey is NJEPVNKAQOPQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-11-5-17-16(10-22-18(17)6-12(11)2)8-19(21)20-9-15-7-13(3)23-14(15)4/h5-7,10H,8-9H2,1-4H3,(H,20,21).
What are the key properties of 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]acetamide?
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]acetamide has a molecular weight of 311.38 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]acetamide is sourced from PubChem (CID 86950374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).